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

C19H20N2O3 — CID 110790041

IUPAC3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C19H20N2O3/c1-12-4-3-5-15(10-12)19(23)20-9-8-14-6-7-17-16(11-14)21-18(22)13(2)24-17/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZXYPKINPCIUPPP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.69
Rot. Bonds4

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

3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide (PubChem CID 110790041) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
PubChem CID110790041
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C19H20N2O3/c1-12-4-3-5-15(10-12)19(23)20-9-8-14-6-7-17-16(11-14)21-18(22)13(2)24-17/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZXYPKINPCIUPPP-UHFFFAOYSA-N
XLogP2.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783627
3-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789899
N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790024
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683036
2-(3-fluorophenyl)-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790075
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682823
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682798
3-cyano-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783633
N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795843
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803
N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 66716785
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide (CID 110790041) is 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2ccc3c(c2)NC(=O)C(C)O3)c1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
The InChIKey is ZXYPKINPCIUPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-4-3-5-15(10-12)19(23)20-9-8-14-6-7-17-16(11-14)21-18(22)13(2)24-17/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide?
3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide has a molecular weight of 324.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide is sourced from PubChem (CID 110790041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).