2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C21H24N2O4 — CID 3245376

IUPAC2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCC1Oc2ccc(C)cc2N(CC(=O)NCc2ccccc2OC)C1=O
InChIInChI=1S/C21H24N2O4/c1-4-17-21(25)23(16-11-14(2)9-10-19(16)27-17)13-20(24)22-12-15-7-5-6-8-18(15)26-3/h5-11,17H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyCTVKBNXOWIOELG-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.82
Rot. Bonds6

About 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 3245376) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID3245376
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCC1Oc2ccc(C)cc2N(CC(=O)NCc2ccccc2OC)C1=O
InChIInChI=1S/C21H24N2O4/c1-4-17-21(25)23(16-11-14(2)9-10-19(16)27-17)13-20(24)22-12-15-7-5-6-8-18(15)26-3/h5-11,17H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyCTVKBNXOWIOELG-UHFFFAOYSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 3245376) is 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide is CCC1Oc2ccc(C)cc2N(CC(=O)NCc2ccccc2OC)C1=O.
What is the InChIKey of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is CTVKBNXOWIOELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-17-21(25)23(16-11-14(2)9-10-19(16)27-17)13-20(24)22-12-15-7-5-6-8-18(15)26-3/h5-11,17H,4,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3245376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).