2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide

C18H18N2O5 — CID 110291846

IUPAC2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C18H18N2O5/c1-20-12-7-4-6-11(17(12)25-10-15(20)21)19-18(22)16-13(23-2)8-5-9-14(16)24-3/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyKPIZTHQKZNIKDJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.31
Rot. Bonds4

About 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide

2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide (PubChem CID 110291846) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
PubChem CID110291846
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc2c1OCC(=O)N2C
InChIInChI=1S/C18H18N2O5/c1-20-12-7-4-6-11(17(12)25-10-15(20)21)19-18(22)16-13(23-2)8-5-9-14(16)24-3/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyKPIZTHQKZNIKDJ-UHFFFAOYSA-N
XLogP2.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854
3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110630325
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
CID 110630403
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701760
N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701697
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
8-(ethylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
CID 110630398
8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
CID 110630401
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
CID 110630339
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
CID 110630337

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide (CID 110291846) is 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1cccc2c1OCC(=O)N2C.
What is the InChIKey of 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
The InChIKey is KPIZTHQKZNIKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-20-12-7-4-6-11(17(12)25-10-15(20)21)19-18(22)16-13(23-2)8-5-9-14(16)24-3/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide?
2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide has a molecular weight of 342.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide is sourced from PubChem (CID 110291846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).