N-(4-methoxy-2-methylphenyl)-3-oxobutanamide

C12H15NO3 — CID 20565334

IUPACN-(4-methoxy-2-methylphenyl)-3-oxobutanamide
SMILESCOc1ccc(NC(=O)CC(C)=O)c(C)c1
InChIInChI=1S/C12H15NO3/c1-8-6-10(16-3)4-5-11(8)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyIJAPXJRGIBHTBR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.92
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-3-oxobutanamide

N-(4-methoxy-2-methylphenyl)-3-oxobutanamide (PubChem CID 20565334) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-oxobutanamide
PubChem CID20565334
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-oxobutanamide
SMILESCOc1ccc(NC(=O)CC(C)=O)c(C)c1
InChIInChI=1S/C12H15NO3/c1-8-6-10(16-3)4-5-11(8)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyIJAPXJRGIBHTBR-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028761
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-(azetidin-3-yl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 64612053

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-oxobutanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-oxobutanamide (CID 20565334) is N-(4-methoxy-2-methylphenyl)-3-oxobutanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-oxobutanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-oxobutanamide is COc1ccc(NC(=O)CC(C)=O)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-oxobutanamide?
The InChIKey is IJAPXJRGIBHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-6-10(16-3)4-5-11(8)13-12(15)7-9(2)14/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-oxobutanamide?
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide has a molecular weight of 221.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-oxobutanamide is sourced from PubChem (CID 20565334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).