1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

C22H26N2O4 — CID 110629552

IUPAC1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C2CCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C22H26N2O4/c1-23(15-20(25)17-9-6-10-18(13-17)28-2)22(27)19-11-12-21(26)24(19)14-16-7-4-3-5-8-16/h3-10,13,19-20,25H,11-12,14-15H2,1-2H3
InChIKeySEOYEYYPXKINKL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.38
Rot. Bonds7

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

1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 110629552) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID110629552
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C2CCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C22H26N2O4/c1-23(15-20(25)17-9-6-10-18(13-17)28-2)22(27)19-11-12-21(26)24(19)14-16-7-4-3-5-8-16/h3-10,13,19-20,25H,11-12,14-15H2,1-2H3
InChIKeySEOYEYYPXKINKL-UHFFFAOYSA-N
XLogP2.38
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110629551
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110308753
1-benzyl-5-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110633715
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-benzyl-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110428649
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629573
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-phenyl-3-pyridin-4-ylpropanamide
CID 110629527
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110629660

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 110629552) is 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is COc1cccc(C(O)CN(C)C(=O)C2CCC(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SEOYEYYPXKINKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23(15-20(25)17-9-6-10-18(13-17)28-2)22(27)19-11-12-21(26)24(19)14-16-7-4-3-5-8-16/h3-10,13,19-20,25H,11-12,14-15H2,1-2H3.
What are the key properties of 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110629552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).