2-methyl-3-(3-methylphenyl)-3-oxopropanamide

C11H13NO2 — CID 121217094

IUPAC2-methyl-3-(3-methylphenyl)-3-oxopropanamide
SMILESCc1cccc(C(=O)C(C)C(N)=O)c1
InChIInChI=1S/C11H13NO2/c1-7-4-3-5-9(6-7)10(13)8(2)11(12)14/h3-6,8H,1-2H3,(H2,12,14)
InChIKeyMSFQQCJOONDRNI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-3-(3-methylphenyl)-3-oxopropanamide

2-methyl-3-(3-methylphenyl)-3-oxopropanamide (PubChem CID 121217094) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-3-(3-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name2-methyl-3-(3-methylphenyl)-3-oxopropanamide
PubChem CID121217094
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-methyl-3-(3-methylphenyl)-3-oxopropanamide
SMILESCc1cccc(C(=O)C(C)C(N)=O)c1
InChIInChI=1S/C11H13NO2/c1-7-4-3-5-9(6-7)10(13)8(2)11(12)14/h3-6,8H,1-2H3,(H2,12,14)
InChIKeyMSFQQCJOONDRNI-UHFFFAOYSA-N
XLogP1.30
TPSA60.16 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 ≤ 51.30
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

3-methylbenzamide;2-methylpropane
CID 160767336
1,2-bis(3-methylphenyl)propan-1-one
CID 145487890
[1,3-bis(3-methylphenyl)-1,3-dioxopropan-2-yl]phosphonic acid
CID 66796244
2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride
CID 71750436
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
[1-(3-methylphenyl)-1-oxopropan-2-yl] acetate
CID 174596845
bis(3-methylphenyl)methanone
CID 17848
3-methyl-1-(3-methylphenyl)butane-1,2-dione
CID 83697695
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
2-cyclopropyl-2-hydroxy-1-(3-methylphenyl)ethanone
CID 103455848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylphenyl)-3-oxopropanamide?
The IUPAC name of 2-methyl-3-(3-methylphenyl)-3-oxopropanamide (CID 121217094) is 2-methyl-3-(3-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for 2-methyl-3-(3-methylphenyl)-3-oxopropanamide?
The canonical SMILES for 2-methyl-3-(3-methylphenyl)-3-oxopropanamide is Cc1cccc(C(=O)C(C)C(N)=O)c1.
What is the InChIKey of 2-methyl-3-(3-methylphenyl)-3-oxopropanamide?
The InChIKey is MSFQQCJOONDRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-4-3-5-9(6-7)10(13)8(2)11(12)14/h3-6,8H,1-2H3,(H2,12,14).
What are the key properties of 2-methyl-3-(3-methylphenyl)-3-oxopropanamide?
2-methyl-3-(3-methylphenyl)-3-oxopropanamide has a molecular weight of 191.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 121217094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).