(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H24N2O3 — CID 95619377

IUPAC(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)N(C)CC3CC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-19(10-13-3-4-13)18(22)15-9-17(21)20(12-15)11-14-5-7-16(23-2)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3/t15-/m0/s1
InChIKeyOWCYTMPBKKAPFL-HNNXBMFYSA-N
MW316.40 g/mol
LogP1.91
Rot. Bonds6

About (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95619377) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95619377
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)N(C)CC3CC3)CC2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-19(10-13-3-4-13)18(22)15-9-17(21)20(12-15)11-14-5-7-16(23-2)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3/t15-/m0/s1
InChIKeyOWCYTMPBKKAPFL-HNNXBMFYSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119657051
(3S)-1-[(4-ethylphenyl)methyl]-N-methyl-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99982975
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119554715
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
(3S)-N-[3-(dimethylamino)-3-oxopropyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297526
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119625408
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 95619377) is (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(CN2C[C@@H](C(=O)N(C)CC3CC3)CC2=O)cc1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OWCYTMPBKKAPFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-19(10-13-3-4-13)18(22)15-9-17(21)20(12-15)11-14-5-7-16(23-2)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95619377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).