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

C27H26N2O6 — CID 3222948

IUPACN-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4cccc(OC)c4)cc32)cc1
InChIInChI=1S/C27H26N2O6/c1-27(2)26(32)29(16-23(30)17-8-11-20(33-3)12-9-17)22-14-18(10-13-24(22)35-27)25(31)28-19-6-5-7-21(15-19)34-4/h5-15H,16H2,1-4H3,(H,28,31)
InChIKeyHOSDGUIZVROWLJ-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.34
Rot. Bonds7

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

N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 3222948) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID3222948
Molecular FormulaC27H26N2O6
Molecular Weight474.51 g/mol
Exact Mass474.18
IUPAC NameN-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4cccc(OC)c4)cc32)cc1
InChIInChI=1S/C27H26N2O6/c1-27(2)26(32)29(16-23(30)17-8-11-20(33-3)12-9-17)22-14-18(10-13-24(22)35-27)25(31)28-19-6-5-7-21(15-19)34-4/h5-15H,16H2,1-4H3,(H,28,31)
InChIKeyHOSDGUIZVROWLJ-UHFFFAOYSA-N
XLogP4.34
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide with MolForge

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Related Compounds

benzyl 2-[6-[(3-methoxyphenyl)carbamoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 3222942
N-cyclopentyl-4-[2-(3-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 4674480
4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-6-(morpholine-4-carbonyl)-1,4-benzoxazin-3-one
CID 23742355
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 1450931
4-(2-anilino-2-oxoethyl)-N-(2,6-dimethylphenyl)-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222935
N-tert-butyl-4-[2-(3-chloroanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222872
N-(2,6-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222932
N-(3-methoxyphenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764410
N-cyclopropyl-4-[2-(3-fluoroanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222997
4-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-3-oxo-N-phenyl-1,4-benzoxazine-6-carboxamide
CID 1442318
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-cyclopentyl-4-[2-(2-methoxyanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 1442254

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 3222948) is N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is COc1ccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4cccc(OC)c4)cc32)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is HOSDGUIZVROWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6/c1-27(2)26(32)29(16-23(30)17-8-11-20(33-3)12-9-17)22-14-18(10-13-24(22)35-27)25(31)28-19-6-5-7-21(15-19)34-4/h5-15H,16H2,1-4H3,(H,28,31).
What are the key properties of N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 3222948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).