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Chemical ID: 5976659

Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N(C)C

Chemical ID:

5976659

Name [?]:

N-cyclohexyl-2-dimethylamino-5-(m-tolylcarbamoylamino)benzamide

SMILES [?]:

Cc1cccc(c1)NC(=O)Nc2ccc(c(c2)C(=O)NC3CCCCC3)N(C)C

InChi [?]:

InChI=1/C23H30N4O2/c1-16-8-7-11-18(14-16)25-23(29)26-19-12-13-21(27(2)3)20(15-19)22(28)24-17-9-5-4-6-10-17/h7-8,11-15,17H,4-6,9-10H2,1-3H3,(H,24,28)(H2,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,28,29,24,23,25,4,3,22,26,5,13,14,7,17,2,21,6,12,16,15,18,9,20,8,11,27,19,10/E:(2,3)(5,6)(9,10)/rA:29nCCCCCCCNCONCCCCCCCONCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;s23;s24;s21s25;s15;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0957
Area:	637.539
Solvation:	-3.84275
Coulombic:	-62.0271

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	394.51
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.36
LogP (Chemaxon):	4.72

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