N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide

C16H22N2O4 — CID 3114038

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-13-6-5-12(11-14(13)22-2)7-8-17-15(19)16(20)18-9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,19)
InChIKeyALKWLASOGKFAFC-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.98
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 3114038) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID3114038
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C16H22N2O4/c1-21-13-6-5-12(11-14(13)22-2)7-8-17-15(19)16(20)18-9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,19)
InChIKeyALKWLASOGKFAFC-UHFFFAOYSA-N
XLogP0.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 3114038) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide is COc1ccc(CCNC(=O)C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is ALKWLASOGKFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-13-6-5-12(11-14(13)22-2)7-8-17-15(19)16(20)18-9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 306.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3114038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).