N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H18N2O3 — CID 61409053

IUPACN-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCC2CO)cc1
InChIInChI=1S/C14H18N2O3/c1-10(18)11-4-6-12(7-5-11)15-14(19)16-8-2-3-13(16)9-17/h4-7,13,17H,2-3,8-9H2,1H3,(H,15,19)
InChIKeyAVGBIKHNAUSPNI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds3

About N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 61409053) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID61409053
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCC2CO)cc1
InChIInChI=1S/C14H18N2O3/c1-10(18)11-4-6-12(7-5-11)15-14(19)16-8-2-3-13(16)9-17/h4-7,13,17H,2-3,8-9H2,1H3,(H,15,19)
InChIKeyAVGBIKHNAUSPNI-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776
dimethyl 5-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 72911500
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
CID 125168729
2-(hydroxymethyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111618266

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 61409053) is N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCCC2CO)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is AVGBIKHNAUSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(18)11-4-6-12(7-5-11)15-14(19)16-8-2-3-13(16)9-17/h4-7,13,17H,2-3,8-9H2,1H3,(H,15,19).
What are the key properties of N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 61409053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).