4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

C21H30N2O3 — CID 60604921

IUPAC4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCCC3CC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-21(2,3)13-17-6-5-11-22(17)20(25)15-12-19(24)23(14-15)16-7-9-18(26-4)10-8-16/h7-10,15,17H,5-6,11-14H2,1-4H3
InChIKeyZEYXJMDGUPZJOL-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.48
Rot. Bonds4

About 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one

4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 60604921) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID60604921
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCCC3CC(C)(C)C)CC2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-21(2,3)13-17-6-5-11-22(17)20(25)15-12-19(24)23(14-15)16-7-9-18(26-4)10-8-16/h7-10,15,17H,5-6,11-14H2,1-4H3
InChIKeyZEYXJMDGUPZJOL-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-methoxyphenyl)-4-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92596147
(2R)-1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120890
1-(4-methoxyphenyl)-4-(6-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 51125887
(4R)-1-cyclopropyl-4-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94620798
4-[4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 75392272
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 55543629
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4965879
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one (CID 60604921) is 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCCC3CC(C)(C)C)CC2=O)cc1.
What is the InChIKey of 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is ZEYXJMDGUPZJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-21(2,3)13-17-6-5-11-22(17)20(25)15-12-19(24)23(14-15)16-7-9-18(26-4)10-8-16/h7-10,15,17H,5-6,11-14H2,1-4H3.
What are the key properties of 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 358.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 60604921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).