Chemical ID: 3939506

CCOc1ccc(cc1)NC(=O)N2CCC(CC2)NC(=O)c3ccccc3C
Chemical ID:
3939506
Name [?]:
N-(4-ethoxyphenyl)-4-(2-methylbenzoyl)amino-piperidine-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)N2CCC(CC2)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C22H27N3O3/c1-3-28-19-10-8-17(9-11-19)24-22(27)25-14-12-18(13-15-25)23-21(26)20-7-5-4-6-16(20)2/h4-11,18H,3,12-15H2,1-2H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,28,2,25,24,26,23,6,8,5,9,15,17,14,18,27,7,16,4,22,20,11,19,10,13,21,12,3/E:(8,9)(10,11)(12,13)(14,15)/rA:28nCCOCCCCCCNCONCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4531
Area:622.106
Solvation:-4.09957
Coulombic:-60.0872
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.468
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.59
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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