N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide

C13H16N2O2 — CID 46761229

IUPACN-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2)c1C
InChIInChI=1S/C13H16N2O2/c1-8-11(14-9(2)16)4-3-5-12(8)15-13(17)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUMXUPYHMFKVGFQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.30
Rot. Bonds3

About N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide

N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide (PubChem CID 46761229) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
PubChem CID46761229
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC2)c1C
InChIInChI=1S/C13H16N2O2/c1-8-11(14-9(2)16)4-3-5-12(8)15-13(17)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUMXUPYHMFKVGFQ-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutanoic acid
CID 46761186
N-[2-methyl-3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 46761188
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
CID 46761195
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
N-[3-[2-(2-chlorophenoxy)propanoylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761291
N-[2-methyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]cyclopropanecarboxamide
CID 46761316
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide (CID 46761229) is N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide is CC(=O)Nc1cccc(NC(=O)C2CC2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide?
The InChIKey is UMXUPYHMFKVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-11(14-9(2)16)4-3-5-12(8)15-13(17)10-6-7-10/h3-5,10H,6-7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide?
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 46761229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).