N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide

C14H18N2O4 — CID 178032550

IUPACN-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(NC(=O)C(=O)C2CCCN2)cc1OC
InChIInChI=1S/C14H18N2O4/c1-19-11-6-5-9(8-12(11)20-2)16-14(18)13(17)10-4-3-7-15-10/h5-6,8,10,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyGCMZFLLYTYWHLQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.96
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide

N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide (PubChem CID 178032550) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide
PubChem CID178032550
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(NC(=O)C(=O)C2CCCN2)cc1OC
InChIInChI=1S/C14H18N2O4/c1-19-11-6-5-9(8-12(11)20-2)16-14(18)13(17)10-4-3-7-15-10/h5-6,8,10,15H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyGCMZFLLYTYWHLQ-UHFFFAOYSA-N
XLogP0.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide (CID 178032550) is N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide is COc1ccc(NC(=O)C(=O)C2CCCN2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide?
The InChIKey is GCMZFLLYTYWHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-11-6-5-9(8-12(11)20-2)16-14(18)13(17)10-4-3-7-15-10/h5-6,8,10,15H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide?
N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide has a molecular weight of 278.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-oxo-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 178032550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).