2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide

C19H20N2O3 — CID 110383322

IUPAC2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CC2Oc3ccccc3N(C)C2=O)c1
InChIInChI=1S/C19H20N2O3/c1-13-6-5-7-14(10-13)12-20-18(22)11-17-19(23)21(2)15-8-3-4-9-16(15)24-17/h3-10,17H,11-12H2,1-2H3,(H,20,22)
InChIKeyMOCVMTFOYBMUOS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide

2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 110383322) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID110383322
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CC2Oc3ccccc3N(C)C2=O)c1
InChIInChI=1S/C19H20N2O3/c1-13-6-5-7-14(10-13)12-20-18(22)11-17-19(23)21(2)15-8-3-4-9-16(15)24-17/h3-10,17H,11-12H2,1-2H3,(H,20,22)
InChIKeyMOCVMTFOYBMUOS-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]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

N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
CID 110404497
2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
4-benzylsulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53282998
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 3674095
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404508
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide (CID 110383322) is 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CC2Oc3ccccc3N(C)C2=O)c1.
What is the InChIKey of 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is MOCVMTFOYBMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-5-7-14(10-13)12-20-18(22)11-17-19(23)21(2)15-8-3-4-9-16(15)24-17/h3-10,17H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110383322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).