N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide

C14H18N2O2 — CID 61347422

IUPACN-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC(C)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-10-7-8-16(9-10)14(18)15-13-5-3-12(4-6-13)11(2)17/h3-6,10H,7-9H2,1-2H3,(H,15,18)
InChIKeyDFSXAZLYMREPRG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.76
Rot. Bonds2

About N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide

N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide (PubChem CID 61347422) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
PubChem CID61347422
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC(C)C2)cc1
InChIInChI=1S/C14H18N2O2/c1-10-7-8-16(9-10)14(18)15-13-5-3-12(4-6-13)11(2)17/h3-6,10H,7-9H2,1-2H3,(H,15,18)
InChIKeyDFSXAZLYMREPRG-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163310
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
N-(4-acetylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115766537
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide (CID 61347422) is N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCC(C)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide?
The InChIKey is DFSXAZLYMREPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-7-8-16(9-10)14(18)15-13-5-3-12(4-6-13)11(2)17/h3-6,10H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide?
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 61347422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).