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Chemical ID: 7479285

C=CCNC(=O)c1ccccc1NC(=O)C2CCC(CC2)C(=O)Nc3ccccc3C(=O)NCC=C

Chemical ID:

7479285

Name [?]:

N,N'-bis[2-(allylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

SMILES [?]:

C=CCNC(=O)c1ccccc1NC(=O)C2CCC(CC2)C(=O)Nc3ccccc3C(=O)NCC=C

InChi [?]:

InChI=1/C28H32N4O4/c1-3-17-29-27(35)21-9-5-7-11-23(21)31-25(33)19-13-15-20(16-14-19)26(34)32-24-12-8-6-10-22(24)28(36)30-18-4-2/h3-12,19-20H,1-2,13-18H2,(H,29,35)(H,30,36)(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,36,2,35,9,28,10,27,8,29,11,26,17,21,18,20,3,34,16,19,7,30,12,25,14,22,5,31,4,33,13,24,15,23,6,32/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/gE:(1,2)(3,4)/rA:36nCCCNCOCCCCCCNCOCCCCCCCONCCCCCCCONCCC/rB:d1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;d31;s31;s33;s34;d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₂N₄O₄
All Atoms:	68
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	15.0009
Area:	777.458
Solvation:	-4.43551
Coulombic:	-88.4026

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	14
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	488.578
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	3.86
LogP (Chemaxon):	4.69

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