N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide

C14H18N2O2 — CID 110737035

IUPACN-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
SMILESCN1CC(CNC(=O)Cc2ccccc2)CC1=O
InChIInChI=1S/C14H18N2O2/c1-16-10-12(8-14(16)18)9-15-13(17)7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyBOPFBPDSQRZWLR-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.82
Rot. Bonds4

About N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide

N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide (PubChem CID 110737035) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
PubChem CID110737035
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
SMILESCN1CC(CNC(=O)Cc2ccccc2)CC1=O
InChIInChI=1S/C14H18N2O2/c1-16-10-12(8-14(16)18)9-15-13(17)7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyBOPFBPDSQRZWLR-UHFFFAOYSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide
CID 110746088
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-[[1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl]-5-(cyclodecapentaenyl)-4-oxopentanamide
CID 91213723
2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97082046
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide (CID 110737035) is N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide is CN1CC(CNC(=O)Cc2ccccc2)CC1=O.
What is the InChIKey of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
The InChIKey is BOPFBPDSQRZWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-10-12(8-14(16)18)9-15-13(17)7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17).
What are the key properties of N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide?
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide has a molecular weight of 246.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110737035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).