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31078-36-1 | Decanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
CAS No: 31078-36-1 Catalog No: AG00321N MDL No:
Product Description
Catalog Number:
AG00321N
Chemical Name:
Decanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-
CAS Number:
31078-36-1
Molecular Formula:
C18H29NO3
Molecular Weight:
307.4278
IUPAC Name:
N-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
InChI:
InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-18(21)19-14-15-11-12-16(20)17(13-15)22-2/h11-13,20H,3-10,14H2,1-2H3,(H,19,21)
InChI Key:
QLHTWDQJPOTDMV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)NCc1ccc(c(c1)OC)O
UNII:
18EB43C97X
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.215g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.434g/mol
Monoisotopic Mass:
307.215g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| The SAR analysis of TRPV1 agonists with the α-methylated B-region. | Bioorganic & medicinal chemistry letters 20120815 |
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