1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

C18H25N3O3 — CID 119554715

IUPAC1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)N(C)C3CCNC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-20(15-7-8-19-10-15)18(23)14-9-17(22)21(12-14)11-13-3-5-16(24-2)6-4-13/h3-6,14-15,19H,7-12H2,1-2H3
InChIKeyJVCUGAUSPGIEGL-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.86
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 119554715) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
PubChem CID119554715
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(=O)N(C)C3CCNC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-20(15-7-8-19-10-15)18(23)14-9-17(22)21(12-14)11-13-3-5-16(24-2)6-4-13/h3-6,14-15,19H,7-12H2,1-2H3
InChIKeyJVCUGAUSPGIEGL-UHFFFAOYSA-N
XLogP0.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(4-methylphenyl)methyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119551929
(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95619377
1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119552395
N-(3-amino-2,2-dimethylpropyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119657051
N-methyl-5-oxo-N-piperidin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119442259
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119554487
(2S,3R)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3R)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 125146529
(3S)-N-[3-(dimethylamino)-3-oxopropyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297526
(2S,3S)-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 125146530
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (CID 119554715) is 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is COc1ccc(CN2CC(C(=O)N(C)C3CCNC3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is JVCUGAUSPGIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(15-7-8-19-10-15)18(23)14-9-17(22)21(12-14)11-13-3-5-16(24-2)6-4-13/h3-6,14-15,19H,7-12H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119554715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).