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Chemical ID: 7492219

CC(C)NC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc2ccccc2C(=O)NC(C)C

Chemical ID:

7492219

Name [?]:

N,N'-bis[2-(isopropylcarbamoyl)phenyl]hexanediamide

SMILES [?]:

CC(C)NC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc2ccccc2C(=O)NC(C)C

InChi [?]:

InChI=1/C26H34N4O4/c1-17(2)27-25(33)19-11-5-7-13-21(19)29-23(31)15-9-10-16-24(32)30-22-14-8-6-12-20(22)26(34)28-18(3)4/h5-8,11-14,17-18H,9-10,15-16H2,1-4H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,3,33,34,9,26,10,25,17,18,8,27,11,24,16,19,2,32,7,28,12,23,14,20,5,29,4,31,13,22,15,21,6,30/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)/gE:(1,2)(3,4)/rA:34nCCCNCOCCCCCCNCOCCCCCONCCCCCCCONCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;s31;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₄N₄O₄
All Atoms:	68
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.7598
Area:	768.371
Solvation:	-4.44949
Coulombic:	-84.5535

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	466.573
H-Bond Donors:	4
H-Bond Acceptors:	8
XLogP:	4.15
LogP (Chemaxon):	4.1

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