N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide

C13H16N2O3 — CID 62918779

IUPACN-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H16N2O3/c1-9(16)14-11-4-2-10(3-5-11)13(18)15-7-6-12(17)8-15/h2-5,12,17H,6-8H2,1H3,(H,14,16)
InChIKeyYYZFNIORVUAIIS-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.85
Rot. Bonds2

About N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide

N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 62918779) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID62918779
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C13H16N2O3/c1-9(16)14-11-4-2-10(3-5-11)13(18)15-7-6-12(17)8-15/h2-5,12,17H,6-8H2,1H3,(H,14,16)
InChIKeyYYZFNIORVUAIIS-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 62917587
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide (CID 62918779) is N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(O)C2)cc1.
What is the InChIKey of N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is YYZFNIORVUAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)14-11-4-2-10(3-5-11)13(18)15-7-6-12(17)8-15/h2-5,12,17H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide?
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 62918779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).