Chemical ID: 3939487

COc1ccccc1NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3
Chemical ID:
3939487
Name [?]:
4-cyclohexylcarbonylamino-N-(2-methoxyphenyl)-piperidine-1-carboxamide
SMILES [?]:
COc1ccccc1NC(=O)N2CCC(CC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C20H29N3O3/c1-26-18-10-6-5-9-17(18)22-20(25)23-13-11-16(12-14-23)21-19(24)15-7-3-2-4-8-15/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,6,5,22,26,7,4,14,16,13,17,21,15,8,3,19,10,18,9,12,20,11,2/E:(3,4)(7,8)(11,12)(13,14)/rA:26nCOCCCCCCNCONCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.779
Area:583.247
Solvation:-3.8022
Coulombic:-59.267
Bond Count [?]
All:28
Single:23
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.463
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.93
LogP (Chemaxon):2.25

Name Annotations

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Descriptor Annotations

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