N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide

C14H16N2O3 — CID 110473177

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
SMILESCN1CC(NC(=O)CC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C14H16N2O3/c1-16-9-11(7-14(16)19)15-13(18)8-12(17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,18)
InChIKeyDMNMPOFQPQXFRD-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.61
Rot. Bonds4

About N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide (PubChem CID 110473177) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
PubChem CID110473177
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
SMILESCN1CC(NC(=O)CC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C14H16N2O3/c1-16-9-11(7-14(16)19)15-13(18)8-12(17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,18)
InChIKeyDMNMPOFQPQXFRD-UHFFFAOYSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.61
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

N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 94796717
3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 130585425
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
CID 126983919
2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide
CID 97003081
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110736543
methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
CID 60616666
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide (CID 110473177) is N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide is CN1CC(NC(=O)CC(=O)c2ccccc2)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide?
The InChIKey is DMNMPOFQPQXFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-9-11(7-14(16)19)15-13(18)8-12(17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,18).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide has a molecular weight of 260.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110473177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).