2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

C21H24N2O3 — CID 56900894

IUPAC2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
SMILESCc1ccc(O)c(C(=O)NC2CC(=O)N(CCCc3ccccc3)C2)c1
InChIInChI=1S/C21H24N2O3/c1-15-9-10-19(24)18(12-15)21(26)22-17-13-20(25)23(14-17)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,24H,5,8,11,13-14H2,1H3,(H,22,26)
InChIKeyWVLRAVUQENGRTK-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.66
Rot. Bonds6

About 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide (PubChem CID 56900894) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
PubChem CID56900894
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
SMILESCc1ccc(O)c(C(=O)NC2CC(=O)N(CCCc3ccccc3)C2)c1
InChIInChI=1S/C21H24N2O3/c1-15-9-10-19(24)18(12-15)21(26)22-17-13-20(25)23(14-17)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,24H,5,8,11,13-14H2,1H3,(H,22,26)
InChIKeyWVLRAVUQENGRTK-UHFFFAOYSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(2-hydroxy-5-methylbenzoyl)amino]-2-oxopyrrolidin-1-yl]methyl]benzoic acid
CID 166031153
2-(dimethylamino)-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 26392506
5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42527641
6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 42311318

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide (CID 56900894) is 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide is Cc1ccc(O)c(C(=O)NC2CC(=O)N(CCCc3ccccc3)C2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
The InChIKey is WVLRAVUQENGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-9-10-19(24)18(12-15)21(26)22-17-13-20(25)23(14-17)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,24H,5,8,11,13-14H2,1H3,(H,22,26).
What are the key properties of 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 56900894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).