N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide

C18H18N2O3 — CID 110770440

IUPACN-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-19(14-6-4-3-5-7-14)17(21)11-13-8-9-16-15(10-13)20(2)18(22)12-23-16/h3-10H,11-12H2,1-2H3
InChIKeyMQGDUIRVNXVWJR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide

N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide (PubChem CID 110770440) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
PubChem CID110770440
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-19(14-6-4-3-5-7-14)17(21)11-13-8-9-16-15(10-13)20(2)18(22)12-23-16/h3-10H,11-12H2,1-2H3
InChIKeyMQGDUIRVNXVWJR-UHFFFAOYSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770404
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 110770394
2-[methyl-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]-2-oxoacetic acid
CID 115141247
phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
CID 110783576
N-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]carbamoyl bromide
CID 115194115
N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 115191036
4-methyl-6-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 110805909
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
6-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methyl-1,4-benzoxazin-3-one
CID 116928889
N-butan-2-yl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770380

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide (CID 110770440) is N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide is CN(C(=O)Cc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1.
What is the InChIKey of N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The InChIKey is MQGDUIRVNXVWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19(14-6-4-3-5-7-14)17(21)11-13-8-9-16-15(10-13)20(2)18(22)12-23-16/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide?
N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide is sourced from PubChem (CID 110770440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).