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

C20H22N2O4 — CID 75768727

IUPACN-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C)Oc3ccc(C)cc3N(C)C2=O)c1
InChIInChI=1S/C20H22N2O4/c1-13-8-9-17-16(10-13)22(3)19(24)20(2,26-17)18(23)21-12-14-6-5-7-15(11-14)25-4/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyOFHJOUHWZNYIPS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.43
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (PubChem CID 75768727) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
PubChem CID75768727
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C)Oc3ccc(C)cc3N(C)C2=O)c1
InChIInChI=1S/C20H22N2O4/c1-13-8-9-17-16(10-13)22(3)19(24)20(2,26-17)18(23)21-12-14-6-5-7-15(11-14)25-4/h5-11H,12H2,1-4H3,(H,21,23)
InChIKeyOFHJOUHWZNYIPS-UHFFFAOYSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768732
2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide
CID 75768621
4-ethyl-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 53173817
N-(3-fluorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768599
2,4,6-trimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768711
N-(3,4-dimethylphenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768603
2,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769904
methyl 1,3-dimethyl-4-[(2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]pyrazole-5-carboxylate
CID 75769565
2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
CID 75768674
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 48630580
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (CID 75768727) is N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is COc1cccc(CNC(=O)C2(C)Oc3ccc(C)cc3N(C)C2=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The InChIKey is OFHJOUHWZNYIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-8-9-17-16(10-13)22(3)19(24)20(2,26-17)18(23)21-12-14-6-5-7-15(11-14)25-4/h5-11H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).