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Chemical ID: 6314936

Cc1cccc(c1)OCC(=O)Nc2ccc(cc2NC(=O)COc3cccc(c3)C)C(=O)c4ccccc4

Chemical ID:

6314936

Name [?]:

N-[4-benzoyl-2-[2-(3-methylphenoxy)acetyl]amino-phenyl]-2-(3-methylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1)OCC(=O)Nc2ccc(cc2NC(=O)COc3cccc(c3)C)C(=O)c4ccccc4

InChi [?]:

InChI=1/C31H28N2O5/c1-21-8-6-12-25(16-21)37-19-29(34)32-27-15-14-24(31(36)23-10-4-3-5-11-23)18-28(27)33-30(35)20-38-26-13-7-9-22(2)17-26/h3-18H,19-20H2,1-2H3,(H,32,34)(H,33,35)

InChi Info:

AuxInfo=1/1/N:1,30,36,35,37,4,26,3,27,34,38,5,25,15,14,7,29,17,9,22,2,28,33,16,6,24,13,18,10,20,31,12,19,11,21,32,8,23/E:(4,5)(10,11)/rA:38nCCCCCCCOCCONCCCCCCNCOCOCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s28;s16;d31;s31;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₈N₂O₅
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1627
Area:	799.972
Solvation:	-8.83662
Coulombic:	-65.8129

Bond Count [?]

All:	41
Single:	26
Double:	15
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	508.565
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.76
LogP (Chemaxon):	5.86

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value