N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide

C15H20N2O3 — CID 115647557

IUPACN-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C15H20N2O3/c1-11(19)13-3-2-4-14(9-13)16-15(20)17-7-5-12(10-17)6-8-18/h2-4,9,12,18H,5-8,10H2,1H3,(H,16,20)
InChIKeyBAWDYZYHXUQHKZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.13
Rot. Bonds4

About N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide

N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 115647557) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID115647557
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C15H20N2O3/c1-11(19)13-3-2-4-14(9-13)16-15(20)17-7-5-12(10-17)6-8-18/h2-4,9,12,18H,5-8,10H2,1H3,(H,16,20)
InChIKeyBAWDYZYHXUQHKZ-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 114799612
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
CID 71931011
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 63980183
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(3-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746304
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
(3-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746310
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide (CID 115647557) is N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCC(CCO)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is BAWDYZYHXUQHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(19)13-3-2-4-14(9-13)16-15(20)17-7-5-12(10-17)6-8-18/h2-4,9,12,18H,5-8,10H2,1H3,(H,16,20).
What are the key properties of N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115647557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).