N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 6459120

IUPACN-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)17-15(20)11-9-14(19)18(10-11)12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyKMEMLRWSQGOISX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds3

About N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6459120) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6459120
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)17-15(20)11-9-14(19)18(10-11)12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,17,20)
InChIKeyKMEMLRWSQGOISX-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

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Related Compounds

2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94662458
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 6459120) is N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC(C)(C)C)CC2=O)cc1.
What is the InChIKey of N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMEMLRWSQGOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)17-15(20)11-9-14(19)18(10-11)12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-tert-butyl-1-(4-methoxyphenyl)-5-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)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6459120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).