N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide

C14H19N3O2 — CID 102777091

IUPACN-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C14H19N3O2/c1-9-6-7-15-13(9)14(19)17-12-5-3-4-11(8-12)16-10(2)18/h3-5,8-9,13,15H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIROZRBXXKUBDGI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.58
Rot. Bonds3

About N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide

N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777091) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102777091
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C14H19N3O2/c1-9-6-7-15-13(9)14(19)17-12-5-3-4-11(8-12)16-10(2)18/h3-5,8-9,13,15H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIROZRBXXKUBDGI-UHFFFAOYSA-N
XLogP1.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 102778230
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778390
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide (CID 102777091) is N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)C2NCCC2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is IROZRBXXKUBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-7-15-13(9)14(19)17-12-5-3-4-11(8-12)16-10(2)18/h3-5,8-9,13,15H,6-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide?
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).