Chemical ID: 5279888

CC(C)COc1ccc(cc1OC)NC(=O)C2CCCCN2
Chemical ID:
5279888
Name [?]:
N-(4-isobutoxy-3-methoxy-phenyl)piperidine-2-carboxamide
SMILES [?]:
CC(C)COc1ccc(cc1OC)NC(=O)C2CCCCN2
InChi [?]:
InChI=1/C17H26N2O3/c1-12(2)11-22-15-8-7-13(10-16(15)21-3)19-17(20)14-6-4-5-9-18-14/h7-8,10,12,14,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,13,19,20,18,8,7,21,10,4,2,9,17,6,11,15,22,14,16,12,5/E:(1,2)/rA:22cCCCCOCCCCCCOCNCOCCCCCN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.69273
Area:531.835
Solvation:-5.60314
Coulombic:-43.5034
Bond Count [?]
All:23
Single:19
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:306.4
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.17
LogP (Chemaxon):2.5

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Descriptor Annotations

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