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Chemical ID: 5890253

CC1CCN(CC1)c2ccc(cc2C(=O)NC3CCCCC3)NC(=O)c4ccc(cc4)[N+](=O)[O-]

Chemical ID:

5890253

Name [?]:

N-cyclohexyl-2-(4-methyl-1-piperidyl)-5-(4-nitrobenzoyl)amino-benzamide

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)NC3CCCCC3)NC(=O)c4ccc(cc4)[N+](=O)[O-]

InChi [?]:

InChI=1/C26H32N4O4/c1-18-13-15-29(16-14-18)24-12-9-21(17-23(24)26(32)27-20-5-3-2-4-6-20)28-25(31)19-7-10-22(11-8-19)30(33)34/h7-12,17-18,20H,2-6,13-16H2,1H3,(H,27,32)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,18,22,27,31,10,28,30,9,3,7,4,6,12,2,26,17,11,29,13,8,24,14,16,23,5,32,25,15,33,34/E:(3,4)(5,6)(7,8)(10,11)(13,14)(15,16)(33,34)/CRV:30.5/rA:34nCCCCNCCCCCCCCCONCCCCCCNCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s11;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₄O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	8.23477
Area:	716.962
Solvation:	-9.68927
Coulombic:	-60.2374

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	464.557
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	5.58
LogP (Chemaxon):	4.86

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