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Chemical ID: 6771298

CCOc1ccc(cc1OC)CN2C(=O)CCC2(C)C(=O)NC3CCCC(C3C)C

Chemical ID:

6771298

Name [?]:

N-(2,3-dimethylcyclohexyl)-1-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-methyl-5-oxo-pyrrolidine-2-carboxamide

SMILES [?]:

CCOc1ccc(cc1OC)CN2C(=O)CCC2(C)C(=O)NC3CCCC(C3C)C

InChi [?]:

InChI=1/C24H36N2O4/c1-6-30-20-11-10-18(14-21(20)29-5)15-26-22(27)12-13-24(26,4)23(28)25-19-9-7-8-16(2)17(19)3/h10-11,14,16-17,19H,6-9,12-13,15H2,1-5H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,30,29,19,11,2,25,26,24,6,5,16,17,8,12,27,28,7,23,4,9,14,20,18,22,13,15,21,10,3/rA:30cCCOCCCCCCOCCNCOCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s16;s13s17;s18;s18;d20;s20;s22;s23;s24;s25;s26;s23s27;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₆N₂O₄
All Atoms:	66
Heavy Atoms:	30
Chiral Atoms:	4

ZAP Information [?]

Total:	8.53691
Area:	565.13
Solvation:	-5.59134
Coulombic:	-53.0745

Bond Count [?]

All:	32
Single:	27
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	416.554
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.54
LogP (Chemaxon):	2.86

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

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

Chemical Mix	Source	External ID	Descriptor	Value