2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

C19H18N2O5 — CID 131895985

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2N(C)C1=O
InChIInChI=1S/C19H18N2O5/c1-11-19(23)21(2)14-9-13(4-6-15(14)26-11)20-18(22)8-12-3-5-16-17(7-12)25-10-24-16/h3-7,9,11H,8,10H2,1-2H3,(H,20,22)
InChIKeySOWUOGFCUINOGZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.34
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 131895985) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID131895985
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2N(C)C1=O
InChIInChI=1S/C19H18N2O5/c1-11-19(23)21(2)14-9-13(4-6-15(14)26-11)20-18(22)8-12-3-5-16-17(7-12)25-10-24-16/h3-7,9,11H,8,10H2,1-2H3,(H,20,22)
InChIKeySOWUOGFCUINOGZ-UHFFFAOYSA-N
XLogP2.34
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110770696
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
CID 131904163
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
3-(benzenesulfonyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 131889206
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
6-[2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1,4-benzoxazin-3-one
CID 110800158
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131891075

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 131895985) is 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CC1Oc2ccc(NC(=O)Cc3ccc4c(c3)OCO4)cc2N(C)C1=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is SOWUOGFCUINOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-19(23)21(2)14-9-13(4-6-15(14)26-11)20-18(22)8-12-3-5-16-17(7-12)25-10-24-16/h3-7,9,11H,8,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 354.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 131895985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).