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

C18H18N2O3 — CID 110404497

IUPACN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
SMILESCN1C(=O)C(CNC(=O)Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-20-14-9-5-6-10-15(14)23-16(18(20)22)12-19-17(21)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,21)
InChIKeyGJNJEGGSDLJPGF-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.77
Rot. Bonds4

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

N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide (PubChem CID 110404497) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
PubChem CID110404497
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide
SMILESCN1C(=O)C(CNC(=O)Cc2ccccc2)Oc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-20-14-9-5-6-10-15(14)23-16(18(20)22)12-19-17(21)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,21)
InChIKeyGJNJEGGSDLJPGF-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404498
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2,2-diphenylacetamide
CID 110404491
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404508
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478
1-(4-chlorophenyl)-3-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]urea
CID 110404511
2-chloro-6-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404522
2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110383322
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenoxypropanamide
CID 110404823
4-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404798
2-chloro-6-fluoro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzamide
CID 110404837
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110404901
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]thiophene-2-sulfonamide
CID 110404582

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide (CID 110404497) is N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide is CN1C(=O)C(CNC(=O)Cc2ccccc2)Oc2ccccc21.
What is the InChIKey of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide?
The InChIKey is GJNJEGGSDLJPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20-14-9-5-6-10-15(14)23-16(18(20)22)12-19-17(21)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,21).
What are the key properties of N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide?
N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide has a molecular weight of 310.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110404497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).