N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide

C13H17NO2 — CID 115175423

IUPACN-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)C(=O)N(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)11-5-7-12(8-6-11)14(4)13(16)10(3)15/h5-9H,1-4H3
InChIKeyKIXSJORVBZSEIO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide

N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 115175423) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
PubChem CID115175423
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)C(=O)N(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-9(2)11-5-7-12(8-6-11)14(4)13(16)10(3)15/h5-9H,1-4H3
InChIKeyKIXSJORVBZSEIO-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(N-methyl-4-propan-2-ylanilino)-2-oxoacetate
CID 115142231
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 176647563
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
2-(ethylamino)-N-methyl-N-(4-propan-2-ylphenyl)acetamide
CID 115157740
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
1,3-dimethyl-1-[(Z)-3-oxoprop-1-enyl]-3-(4-propan-2-ylphenyl)urea
CID 177030216
N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
CID 115175463

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide (CID 115175423) is N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide is CC(=O)C(=O)N(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is KIXSJORVBZSEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)11-5-7-12(8-6-11)14(4)13(16)10(3)15/h5-9H,1-4H3.
What are the key properties of N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide?
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 219.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 115175423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).