N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C18H18N2O4 — CID 1455745

IUPACN-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1
InChIInChI=1S/C18H18N2O4/c1-12-6-7-16-15(8-12)20(18(22)11-24-16)10-17(21)19-13-4-3-5-14(9-13)23-2/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyGBYUNRRDERTWEE-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.37
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 1455745) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID1455745
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1cccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1
InChIInChI=1S/C18H18N2O4/c1-12-6-7-16-15(8-12)20(18(22)11-24-16)10-17(21)19-13-4-3-5-14(9-13)23-2/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyGBYUNRRDERTWEE-UHFFFAOYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 1455745) is N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1cccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is GBYUNRRDERTWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-6-7-16-15(8-12)20(18(22)11-24-16)10-17(21)19-13-4-3-5-14(9-13)23-2/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 1455745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).