N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

C18H18N2O3 — CID 110699799

IUPACN-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCCN(C(=O)c1cccc2c1NC(=O)CO2)c1cccc(C)c1
InChIInChI=1S/C18H18N2O3/c1-3-20(13-7-4-6-12(2)10-13)18(22)14-8-5-9-15-17(14)19-16(21)11-23-15/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyJQUUWRAUFMBJQF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.99
Rot. Bonds3

About N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide

N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 110699799) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
PubChem CID110699799
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCCN(C(=O)c1cccc2c1NC(=O)CO2)c1cccc(C)c1
InChIInChI=1S/C18H18N2O3/c1-3-20(13-7-4-6-12(2)10-13)18(22)14-8-5-9-15-17(14)19-16(21)11-23-15/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyJQUUWRAUFMBJQF-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide (CID 110699799) is N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is CCN(C(=O)c1cccc2c1NC(=O)CO2)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is JQUUWRAUFMBJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-20(13-7-4-6-12(2)10-13)18(22)14-8-5-9-15-17(14)19-16(21)11-23-15/h4-10H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 110699799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).