N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 42863344

IUPACN-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)NC(C)(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)17-14(19)13-9-10-18(15(13)20)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChIKeyKZMBDJYBPMUTPV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds3

About N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide

N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 42863344) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID42863344
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CCC(C(=O)NC(C)(C)C)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)17-14(19)13-9-10-18(15(13)20)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChIKeyKZMBDJYBPMUTPV-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-tert-butyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991023
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187687
2-methyl-2-[[1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 166214093
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
CID 166437081
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 142761083
2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
CID 62328696
(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
CID 92991111

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide (CID 42863344) is N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is COc1ccc(N2CCC(C(=O)NC(C)(C)C)C2=O)cc1.
What is the InChIKey of N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is KZMBDJYBPMUTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)17-14(19)13-9-10-18(15(13)20)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide?
N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42863344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).