N-(2-methylphenyl)-2-oxopropanamide

C10H11NO2 — CID 82125210

IUPACN-(2-methylphenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccccc1C
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-9(7)11-10(13)8(2)12/h3-6H,1-2H3,(H,11,13)
InChIKeyDTQJTEGOSNYQLI-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.52
Rot. Bonds2

About N-(2-methylphenyl)-2-oxopropanamide

N-(2-methylphenyl)-2-oxopropanamide (PubChem CID 82125210) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-oxopropanamide
PubChem CID82125210
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-(2-methylphenyl)-2-oxopropanamide
SMILESCC(=O)C(=O)Nc1ccccc1C
InChIInChI=1S/C10H11NO2/c1-7-5-3-4-6-9(7)11-10(13)8(2)12/h3-6H,1-2H3,(H,11,13)
InChIKeyDTQJTEGOSNYQLI-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-methylphenyl)-2-sulfanylbut-2-enamide
CID 170032570
2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
CID 56694544
(2-methylphenyl)urea;phosphane
CID 175888509
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
2-(2-methylanilino)prop-2-enoic acid
CID 67584217
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94282932
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide
CID 135637878
N-but-2-en-2-yl-2-methylaniline
CID 74062995
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-oxopropanamide?
The IUPAC name of N-(2-methylphenyl)-2-oxopropanamide (CID 82125210) is N-(2-methylphenyl)-2-oxopropanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-oxopropanamide?
The canonical SMILES for N-(2-methylphenyl)-2-oxopropanamide is CC(=O)C(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-2-oxopropanamide?
The InChIKey is DTQJTEGOSNYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-5-3-4-6-9(7)11-10(13)8(2)12/h3-6H,1-2H3,(H,11,13).
What are the key properties of N-(2-methylphenyl)-2-oxopropanamide?
N-(2-methylphenyl)-2-oxopropanamide has a molecular weight of 177.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-oxopropanamide is sourced from PubChem (CID 82125210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).