2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide

C14H18N2O2 — CID 46948259

IUPAC2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide
SMILESCCC(=O)N1CCC1(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-3-12(17)16-10-9-14(16,2)13(18)15-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18)
InChIKeyJOGNJQAGTLLUSD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide

2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide (PubChem CID 46948259) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide
PubChem CID46948259
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide
SMILESCCC(=O)N1CCC1(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-3-12(17)16-10-9-14(16,2)13(18)15-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18)
InChIKeyJOGNJQAGTLLUSD-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-phenyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155455844
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
CID 46948542
N-(1,3-benzodioxol-5-yl)-1-benzoyl-2-methylazetidine-2-carboxamide
CID 46948137
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
CID 136526263
N-(3-cyanophenyl)-2-methyl-1-[2-(2-phenylethyl)benzoyl]azetidine-2-carboxamide
CID 46944100
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide (CID 46948259) is 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide is CCC(=O)N1CCC1(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide?
The InChIKey is JOGNJQAGTLLUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-12(17)16-10-9-14(16,2)13(18)15-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide?
2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide is sourced from PubChem (CID 46948259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).