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Chemical ID: 7528469

c1ccc(cc1)CNC(=O)c2ccc(cc2)NC(=O)CC(=O)Nc3ccc(cc3)C(=O)NCc4ccccc4

Chemical ID:

7528469

Name [?]:

N,N'-bis[4-(benzylcarbamoyl)phenyl]propanediamide

SMILES [?]:

c1ccc(cc1)CNC(=O)c2ccc(cc2)NC(=O)CC(=O)Nc3ccc(cc3)C(=O)NCc4ccccc4

InChi [?]:

InChI=1/C31H28N4O4/c36-28(34-26-15-11-24(12-16-26)30(38)32-20-22-7-3-1-4-8-22)19-29(37)35-27-17-13-25(14-18-27)31(39)33-21-23-9-5-2-6-10-23/h1-18H,19-21H2,(H,32,38)(H,33,39)(H,34,36)(H,35,37)

InChi Info:

AuxInfo=1/1/N:1,37,2,6,36,38,3,5,35,39,12,16,26,28,13,15,25,29,20,7,33,4,34,11,27,14,24,18,21,9,30,8,32,17,23,19,22,10,31/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)(38,39)/gE:(1,2)(3,4)/rA:39nCCCCCCCNCOCCCCCCNCOCCONCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;d30;s30;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₈N₄O₄
All Atoms:	67
Heavy Atoms:	39
Chiral Atoms:	None

ZAP Information [?]

Total:	14.0395
Area:	836.494
Solvation:	-6.87281
Coulombic:	-84.0674

Bond Count [?]

All:	42
Single:	26
Double:	16
Rotors:	14
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.5
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value