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

C19H20N2O4 — CID 3225026

IUPAC2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccc(C)cc32)cc1
InChIInChI=1S/C19H20N2O4/c1-12-4-9-17-16(10-12)21(19(23)13(2)25-17)11-18(22)20-14-5-7-15(24-3)8-6-14/h4-10,13H,11H2,1-3H3,(H,20,22)
InChIKeyHACYBFFYXDQEFL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.76
Rot. Bonds4

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

2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 3225026) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID3225026
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccc(C)cc32)cc1
InChIInChI=1S/C19H20N2O4/c1-12-4-9-17-16(10-12)21(19(23)13(2)25-17)11-18(22)20-14-5-7-15(24-3)8-6-14/h4-10,13H,11H2,1-3H3,(H,20,22)
InChIKeyHACYBFFYXDQEFL-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
N-(5-Acetylamino-2-methoxy-benzyl)-2-morpholin-4-yl-acetamide
CID 831396
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
Acetamide, N-(4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55424
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
CID 3236663
3-(4-Methoxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11091160
6-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)-6-oxopiperazin-2-yl)methoxy)-4-(3-methoxypropyl)-4,4a-dihydro-2H-benzo[b][1,4]oxazin-3(8aH)-one
CID 52950192

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide (CID 3225026) is 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccc(C)cc32)cc1.
What is the InChIKey of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is HACYBFFYXDQEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-4-9-17-16(10-12)21(19(23)13(2)25-17)11-18(22)20-14-5-7-15(24-3)8-6-14/h4-10,13H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide?
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3225026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).