N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H24N2O3 — CID 51153764

IUPACN-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CC(=O)N(CCc3ccccc3)C2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-9-5-8-17(12-19)14-22-21(25)18-13-20(24)23(15-18)11-10-16-6-3-2-4-7-16/h2-9,12,18H,10-11,13-15H2,1H3,(H,22,25)
InChIKeyLQCKJBMRQUWMNK-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.40
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 51153764) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID51153764
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)C2CC(=O)N(CCc3ccccc3)C2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-9-5-8-17(12-19)14-22-21(25)18-13-20(24)23(15-18)11-10-16-6-3-2-4-7-16/h2-9,12,18H,10-11,13-15H2,1H3,(H,22,25)
InChIKeyLQCKJBMRQUWMNK-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
N-(3,4-difluorophenyl)-1-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184601
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184576
N-[1-(2,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 134053685
1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184557
(3R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 52503367
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 43033710

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 51153764) is N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is COc1cccc(CNC(=O)C2CC(=O)N(CCc3ccccc3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is LQCKJBMRQUWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-9-5-8-17(12-19)14-22-21(25)18-13-20(24)23(15-18)11-10-16-6-3-2-4-7-16/h2-9,12,18H,10-11,13-15H2,1H3,(H,22,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51153764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).