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

C18H18N2O4 — CID 646752

IUPACN-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4/c1-12-18(22)20(15-5-3-4-6-16(15)24-12)11-17(21)19-13-7-9-14(23-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyNIWWOLWGBBNATR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.45
Rot. Bonds4

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

N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 646752) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID646752
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)cc1
InChIInChI=1S/C18H18N2O4/c1-12-18(22)20(15-5-3-4-6-16(15)24-12)11-17(21)19-13-7-9-14(23-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyNIWWOLWGBBNATR-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Samelisant
CID 60151477
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
Rwj-69736
CID 9866614
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
8-((6,6-dimethylhepta-2,4-diyn-1-yl)(methyl)amino)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 102008720
N-(2-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2834475
Rwj-38063
CID 9887378
Rwj-68157
CID 9888164
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 646752) is N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is NIWWOLWGBBNATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-18(22)20(15-5-3-4-6-16(15)24-12)11-17(21)19-13-7-9-14(23-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 646752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).