2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide

C25H24N2O4 — CID 75768621

IUPAC2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1ccc(OCc3ccccc3)cc1)O2
InChIInChI=1S/C25H24N2O4/c1-17-9-14-22-21(15-17)27(3)24(29)25(2,31-22)23(28)26-19-10-12-20(13-11-19)30-16-18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyGYLWXUPKROBBHY-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.33
Rot. Bonds5

About 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide

2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide (PubChem CID 75768621) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide
PubChem CID75768621
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1ccc(OCc3ccccc3)cc1)O2
InChIInChI=1S/C25H24N2O4/c1-17-9-14-22-21(15-17)27(3)24(29)25(2,31-22)23(28)26-19-10-12-20(13-11-19)30-16-18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyGYLWXUPKROBBHY-UHFFFAOYSA-N
XLogP4.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide 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

N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768732
2-(2,5-dimethylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 46769353
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide
CID 75767961
2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
CID 75768674
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39059348
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 7182004

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide (CID 75768621) is 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1ccc(OCc3ccccc3)cc1)O2.
What is the InChIKey of 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide?
The InChIKey is GYLWXUPKROBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-17-9-14-22-21(15-17)27(3)24(29)25(2,31-22)23(28)26-19-10-12-20(13-11-19)30-16-18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide?
2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).