Chemical ID: 3961185

CCOC(=O)C1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)Nc3c(cccc3C)C
Chemical ID:
3961185
Name [?]:
ethyl 1-[1-[(2,6-dimethylphenyl)carbamoylamino]cyclohexyl]carbonylpiperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)Nc3c(cccc3C)C
InChi [?]:
InChI=1/C24H35N3O4/c1-4-31-21(28)19-11-15-27(16-12-19)22(29)24(13-6-5-7-14-24)26-23(30)25-20-17(2)9-8-10-18(20)3/h8-10,19H,4-7,11-16H2,1-3H3,(H2,25,26,30)
InChi Info:
AuxInfo=1/1/N:1,30,31,2,17,16,18,27,28,26,7,11,15,19,8,10,29,25,6,24,4,12,21,14,23,20,9,5,13,22,3/E:(2,3)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:31nCCOCOCCCNCCCOCCCCCCNCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s14;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.1713
Area:616.002
Solvation:-4.22879
Coulombic:-70.0732
Bond Count [?]
All:33
Single:27
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:429.553
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.92
LogP (Chemaxon):2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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