N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C19H20N2O5 — CID 75796216

IUPACN-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C)Oc3ccc(C)cc3NC2=O)c1
InChIInChI=1S/C19H20N2O5/c1-11-5-7-16-13(9-11)20-17(22)19(2,26-16)18(23)21-14-10-12(24-3)6-8-15(14)25-4/h5-10H,1-4H3,(H,20,22)(H,21,23)
InChIKeyDCOPTQFTMADXKM-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.74
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 75796216) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID75796216
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(C)Oc3ccc(C)cc3NC2=O)c1
InChIInChI=1S/C19H20N2O5/c1-11-5-7-16-13(9-11)20-17(22)19(2,26-16)18(23)21-14-10-12(24-3)6-8-15(14)25-4/h5-10H,1-4H3,(H,20,22)(H,21,23)
InChIKeyDCOPTQFTMADXKM-UHFFFAOYSA-N
XLogP2.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
CID 10944406
N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796236
2,6-dimethyl-N-[4-(methylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768550
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
N-butan-2-yl-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768481
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75769864
1-N'-(2,5-dimethoxyphenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980885
N-(2-methoxy-5-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75797079
6-chloro-N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796620
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796168
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 164633014

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 75796216) is N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is COc1ccc(OC)c(NC(=O)C2(C)Oc3ccc(C)cc3NC2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is DCOPTQFTMADXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-11-5-7-16-13(9-11)20-17(22)19(2,26-16)18(23)21-14-10-12(24-3)6-8-15(14)25-4/h5-10H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75796216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).