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

C16H20N2O4 — CID 652750

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCC2CCCO2)C1=O
InChIInChI=1S/C16H20N2O4/c1-11-16(20)18(13-6-2-3-7-14(13)22-11)10-15(19)17-9-12-5-4-8-21-12/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyLEQIGQIQXOUNOY-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.10
Rot. Bonds4

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

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 652750) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID652750
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NCC2CCCO2)C1=O
InChIInChI=1S/C16H20N2O4/c1-11-16(20)18(13-6-2-3-7-14(13)22-11)10-15(19)17-9-12-5-4-8-21-12/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyLEQIGQIQXOUNOY-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
Rwj-69736
CID 9866614
2H-1,4-benzoxazin-3(4H)-one
CID 72757
8-((6,6-dimethylhepta-2,4-diyn-1-yl)(methyl)amino)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 102008720
Rwj-38063
CID 9887378
Rwj-68157
CID 9888164
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
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 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 652750) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is CC1Oc2ccccc2N(CC(=O)NCC2CCCO2)C1=O.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LEQIGQIQXOUNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-16(20)18(13-6-2-3-7-14(13)22-11)10-15(19)17-9-12-5-4-8-21-12/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,17,19).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 652750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).