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Chemical ID: 3946970

Cc1ccc(cc1)NC(=O)NC2(CCCCC2)C(=O)Nc3cccc(c3C)C

Chemical ID:

3946970

Name [?]:

N-(2,3-dimethylphenyl)-1-(p-tolylcarbamoylamino)cyclohexane-1-carboxamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)NC2(CCCCC2)C(=O)Nc3cccc(c3C)C

InChi [?]:

InChI=1/C23H29N3O2/c1-16-10-12-19(13-11-16)24-22(28)26-23(14-5-4-6-15-23)21(27)25-20-9-7-8-17(2)18(20)3/h7-13H,4-6,14-15H2,1-3H3,(H,25,27)(H2,24,26,28)

InChi Info:

AuxInfo=1/1/N:1,28,27,15,14,16,23,24,22,3,7,4,6,13,17,2,25,26,5,21,18,9,12,8,20,11,19,10/E:(5,6)(10,11)(12,13)(14,15)/rA:28nCCCCCCCNCONCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s12;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉N₃O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7148
Area:	592.247
Solvation:	-3.09133
Coulombic:	-57.4675

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	379.495
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	4.34
LogP (Chemaxon):	4.75

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value