N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide

C15H20N2O3 — CID 108941955

IUPACN-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(CNC(=O)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-13-6-4-12(5-7-13)11-16-14(18)10-15(19)17-8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyFJXUCZDBHIUNIJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.32
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide

N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108941955) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108941955
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(CNC(=O)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-20-13-6-4-12(5-7-13)11-16-14(18)10-15(19)17-8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyFJXUCZDBHIUNIJ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947043
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide
CID 4683668
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
N-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944346
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108941955) is N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide is COc1ccc(CNC(=O)CC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is FJXUCZDBHIUNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-13-6-4-12(5-7-13)11-16-14(18)10-15(19)17-8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,16,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108941955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).