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

C16H20N2O4 — CID 3155030

IUPAC2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCC1CCCO1)C(=O)CO2
InChIInChI=1S/C16H20N2O4/c1-11-4-5-14-13(7-11)18(16(20)10-22-14)9-15(19)17-8-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,17,19)
InChIKeyJKEFUGHHRBXCSJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.02
Rot. Bonds4

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

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3155030) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3155030
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)NCC1CCCO1)C(=O)CO2
InChIInChI=1S/C16H20N2O4/c1-11-4-5-14-13(7-11)18(16(20)10-22-14)9-15(19)17-8-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,17,19)
InChIKeyJKEFUGHHRBXCSJ-UHFFFAOYSA-N
XLogP1.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
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
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
Paraxazone
CID 3047812
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
CID 3236663
4-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 940934
4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-N-(2-methoxy-5-methylphenyl)-6-methyl-3-oxo-(9CI)
CID 1455749

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 3155030) is 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc2c(c1)N(CC(=O)NCC1CCCO1)C(=O)CO2.
What is the InChIKey of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JKEFUGHHRBXCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-4-5-14-13(7-11)18(16(20)10-22-14)9-15(19)17-8-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,17,19).
What are the key properties of 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3155030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).