N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide

C18H21NO3 — CID 71690034

IUPACN-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-22-16-9-7-14(8-10-16)13-18(21)19-12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyLHFZWTVONCAHPW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.48
Rot. Bonds7

About N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide

N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 71690034) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
PubChem CID71690034
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-22-16-9-7-14(8-10-16)13-18(21)19-12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyLHFZWTVONCAHPW-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471793
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
N-(3,3-diphenylpropyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 16658889
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide (CID 71690034) is N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is LHFZWTVONCAHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-22-16-9-7-14(8-10-16)13-18(21)19-12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,19,21).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide?
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 71690034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).