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Chemical ID: 6157223

Chemical ID:

6157223

Name [?]:

3-cyclohexyl-N-(2-methyl-4-nitro-phenyl)-propanamide

SMILES [?]:

Cc1cc(ccc1NC(=O)CCC2CCCCC2)[N+](=O)[O-]

InChi [?]:

InChI=1/C16H22N2O3/c1-12-11-14(18(20)21)8-9-15(12)17-16(19)10-7-13-5-3-2-4-6-13/h8-9,11,13H,2-7,10H2,1H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,14,18,12,5,6,11,3,2,13,4,7,9,8,19,10,20,21/E:(3,4)(5,6)(20,21)/CRV:18.5/rA:21nCCCCCCCNCOCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s4;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₂N₂O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	5.63449
Area:	505.156
Solvation:	-6.99442
Coulombic:	-32.5929

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	290.358
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.54
LogP (Chemaxon):	3.58

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value