N-(2-methylphenyl)-3-oxobutanamide

C11H13NO2 — CID 7154

IUPACN-(2-methylphenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccccc1C
InChIInChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyTVZIWRMELPWPPR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.91
Rot. Bonds3

About N-(2-methylphenyl)-3-oxobutanamide

N-(2-methylphenyl)-3-oxobutanamide (PubChem CID 7154) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-oxobutanamide
PubChem CID7154
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(2-methylphenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccccc1C
InChIInChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyTVZIWRMELPWPPR-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
3-oxo-N-(7-oxocyclohepta-1,3,5-trien-1-yl)butanamide
CID 121217123
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide
CID 7026735
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-oxobutanamide?
The IUPAC name of N-(2-methylphenyl)-3-oxobutanamide (CID 7154) is N-(2-methylphenyl)-3-oxobutanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-oxobutanamide?
The canonical SMILES for N-(2-methylphenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-3-oxobutanamide?
The InChIKey is TVZIWRMELPWPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of N-(2-methylphenyl)-3-oxobutanamide?
N-(2-methylphenyl)-3-oxobutanamide has a molecular weight of 191.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-oxobutanamide is sourced from PubChem (CID 7154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).