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Chemical ID: 5279888
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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