N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H24N2O4 — CID 110629660

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O4/c1-22(14-19(24)15-8-10-18(27-2)11-9-15)21(26)16-12-20(25)23(13-16)17-6-4-3-5-7-17/h3-11,16,19,24H,12-14H2,1-2H3
InChIKeyUEDFSNGKPUOJMW-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.24
Rot. Bonds6

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 110629660) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID110629660
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O4/c1-22(14-19(24)15-8-10-18(27-2)11-9-15)21(26)16-12-20(25)23(13-16)17-6-4-3-5-7-17/h3-11,16,19,24H,12-14H2,1-2H3
InChIKeyUEDFSNGKPUOJMW-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193196
N-[(4-cyanophenyl)methyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134004309
(3R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 38303823
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
5-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222487
(1,3-dioxoisoindol-2-yl)methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056725

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 110629660) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is COc1ccc(C(O)CN(C)C(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is UEDFSNGKPUOJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-22(14-19(24)15-8-10-18(27-2)11-9-15)21(26)16-12-20(25)23(13-16)17-6-4-3-5-7-17/h3-11,16,19,24H,12-14H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.24, 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-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110629660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).