N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide

C25H24N2O3 — CID 53023879

IUPACN-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CO2
InChIInChI=1S/C25H24N2O3/c1-3-19-6-4-5-7-21(19)26-25(29)20-12-13-23-22(14-20)27(24(28)16-30-23)15-18-10-8-17(2)9-11-18/h4-14H,3,15-16H2,1-2H3,(H,26,29)
InChIKeyGKHQAJHFWKANLE-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.74
Rot. Bonds5

About N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide

N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 53023879) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID53023879
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CO2
InChIInChI=1S/C25H24N2O3/c1-3-19-6-4-5-7-21(19)26-25(29)20-12-13-23-22(14-20)27(24(28)16-30-23)15-18-10-8-17(2)9-11-18/h4-14H,3,15-16H2,1-2H3,(H,26,29)
InChIKeyGKHQAJHFWKANLE-UHFFFAOYSA-N
XLogP4.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023929
N-cyclooctyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023877
4-[2-(2-ethylanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012300
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
N-(2-ethylphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 53012227
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342
N-[(4-fluorophenyl)methyl]-4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 4590099
propan-2-yl 4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411118
4-[(3-chlorophenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645562
methyl 4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126645833

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide (CID 53023879) is N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide is CCc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)CO2.
What is the InChIKey of N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is GKHQAJHFWKANLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-19-6-4-5-7-21(19)26-25(29)20-12-13-23-22(14-20)27(24(28)16-30-23)15-18-10-8-17(2)9-11-18/h4-14H,3,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide?
N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53023879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).