N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C18H18N2O3 — CID 3224950

IUPACN-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-13-18(22)20(15-9-5-6-10-16(15)23-13)12-17(21)19-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyQTDKRBVWQMOHOV-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.12
Rot. Bonds4

About N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3224950) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3224950
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C18H18N2O3/c1-13-18(22)20(15-9-5-6-10-16(15)23-13)12-17(21)19-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyQTDKRBVWQMOHOV-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3224950) is N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is QTDKRBVWQMOHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-18(22)20(15-9-5-6-10-16(15)23-13)12-17(21)19-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3224950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).