3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide

C16H22N2O4 — CID 125169497

IUPAC3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
SMILESCOCCN1C[C@H](CNC(=O)c2ccc(C)c(O)c2)CC1=O
InChIInChI=1S/C16H22N2O4/c1-11-3-4-13(8-14(11)19)16(21)17-9-12-7-15(20)18(10-12)5-6-22-2/h3-4,8,12,19H,5-7,9-10H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeySVQMTJVTISXQNV-LBPRGKRZSA-N
MW306.36 g/mol
LogP0.93
Rot. Bonds6

About 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide

3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide (PubChem CID 125169497) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
PubChem CID125169497
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
SMILESCOCCN1C[C@H](CNC(=O)c2ccc(C)c(O)c2)CC1=O
InChIInChI=1S/C16H22N2O4/c1-11-3-4-13(8-14(11)19)16(21)17-9-12-7-15(20)18(10-12)5-6-22-2/h3-4,8,12,19H,5-7,9-10H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeySVQMTJVTISXQNV-LBPRGKRZSA-N
XLogP0.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 124842945
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 125177385
N-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 118788931
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
CID 125448469
2-chloro-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 124848979
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
2-(ethylamino)-N-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118792245
3-amino-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 99927250
1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]-3-(2-methoxyethyl)urea
CID 110418747
N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91775311

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide (CID 125169497) is 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide is COCCN1C[C@H](CNC(=O)c2ccc(C)c(O)c2)CC1=O.
What is the InChIKey of 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is SVQMTJVTISXQNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-3-4-13(8-14(11)19)16(21)17-9-12-7-15(20)18(10-12)5-6-22-2/h3-4,8,12,19H,5-7,9-10H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide?
3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 306.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 125169497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).