N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C20H22N2O4 — CID 3239905

IUPACN-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C20H22N2O4/c1-2-25-17-9-5-3-7-15(17)13-21-19(23)11-12-22-16-8-4-6-10-18(16)26-14-20(22)24/h3-10H,2,11-14H2,1H3,(H,21,23)
InChIKeyVJMPJKLBNBWRBY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.52
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 3239905) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID3239905
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C20H22N2O4/c1-2-25-17-9-5-3-7-15(17)13-21-19(23)11-12-22-16-8-4-6-10-18(16)26-14-20(22)24/h3-10H,2,11-14H2,1H3,(H,21,23)
InChIKeyVJMPJKLBNBWRBY-UHFFFAOYSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide 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 N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 3239905) is N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is CCOc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is VJMPJKLBNBWRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-25-17-9-5-3-7-15(17)13-21-19(23)11-12-22-16-8-4-6-10-18(16)26-14-20(22)24/h3-10H,2,11-14H2,1H3,(H,21,23).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 3239905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).