N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide

C21H25NO3 — CID 110354210

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide
SMILESCOc1ccc(CCN(C)C(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-22(16-15-17-11-13-19(25-2)14-12-17)21(24)10-6-9-20(23)18-7-4-3-5-8-18/h3-5,7-8,11-14H,6,9-10,15-16H2,1-2H3
InChIKeyOHSHJCWEEKTTSL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.75
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide

N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide (PubChem CID 110354210) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide
PubChem CID110354210
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide
SMILESCOc1ccc(CCN(C)C(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO3/c1-22(16-15-17-11-13-19(25-2)14-12-17)21(24)10-6-9-20(23)18-7-4-3-5-8-18/h3-5,7-8,11-14H,6,9-10,15-16H2,1-2H3
InChIKeyOHSHJCWEEKTTSL-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-N-methyl-5-oxo-N-phenylpentanamide
CID 110298230
3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]-methylamino]-2-methylpropanoic acid
CID 120687229
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
benzyl 4-[4-(4-methoxyphenyl)butanoyl]benzoate
CID 166440320
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
CID 56536444

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide (CID 110354210) is N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide is COc1ccc(CCN(C)C(=O)CCCC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide?
The InChIKey is OHSHJCWEEKTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-22(16-15-17-11-13-19(25-2)14-12-17)21(24)10-6-9-20(23)18-7-4-3-5-8-18/h3-5,7-8,11-14H,6,9-10,15-16H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide?
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide has a molecular weight of 339.44 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 110354210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).