Chemical ID: 3939512

Cc1cccc(c1NC(=O)N2CCC(CC2)NC(=O)c3ccc(cc3)OC)C
Chemical ID:
3939512
Name [?]:
N-(2,6-dimethylphenyl)-4-(4-methoxybenzoyl)amino-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)N2CCC(CC2)NC(=O)c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C22H27N3O3/c1-15-5-4-6-16(2)20(15)24-22(27)25-13-11-18(12-14-25)23-21(26)17-7-9-19(28-3)10-8-17/h4-10,18H,11-14H2,1-3H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,27,4,3,5,21,25,22,24,13,15,12,16,2,6,20,14,23,7,18,9,17,8,11,19,10,26/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:28nCCCCCCCNCONCCCCCNCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9886
Area:615.572
Solvation:-4.40069
Coulombic:-59.4219
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.468
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.19
LogP (Chemaxon):1.74

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Descriptor Annotations

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