N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide

C21H24N2O4 — CID 110629551

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C2CCC(=O)N2c2ccccc2)c1
InChIInChI=1S/C21H24N2O4/c1-22(14-19(24)15-7-6-10-17(13-15)27-2)21(26)18-11-12-20(25)23(18)16-8-4-3-5-9-16/h3-10,13,18-19,24H,11-12,14H2,1-2H3
InChIKeyGQZHZCULXMDLFA-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.38
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110629551) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110629551
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C2CCC(=O)N2c2ccccc2)c1
InChIInChI=1S/C21H24N2O4/c1-22(14-19(24)15-7-6-10-17(13-15)27-2)21(26)18-11-12-20(25)23(18)16-8-4-3-5-9-16/h3-10,13,18-19,24H,11-12,14H2,1-2H3
InChIKeyGQZHZCULXMDLFA-UHFFFAOYSA-N
XLogP2.38
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 110629552
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110308753
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110629660
CID 11494152
CID 11494152
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629573
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-phenylpyrrolidin-2-one
CID 110633714
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
CID 110629527
N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 111380972

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110629551) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide is COc1cccc(C(O)CN(C)C(=O)C2CCC(=O)N2c2ccccc2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is GQZHZCULXMDLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-22(14-19(24)15-7-6-10-17(13-15)27-2)21(26)18-11-12-20(25)23(18)16-8-4-3-5-9-16/h3-10,13,18-19,24H,11-12,14H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110629551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).