6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one

C16H22N2O2 — CID 43767738

IUPAC6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one
SMILESCC(Nc1ccc2c(c1)NC(=O)CO2)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-11(12-5-3-2-4-6-12)17-13-7-8-15-14(9-13)18-16(19)10-20-15/h7-9,11-12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyOSCBJTPOWIDJDT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.40
Rot. Bonds3

About 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one

6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one (PubChem CID 43767738) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one
PubChem CID43767738
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one
SMILESCC(Nc1ccc2c(c1)NC(=O)CO2)C1CCCCC1
InChIInChI=1S/C16H22N2O2/c1-11(12-5-3-2-4-6-12)17-13-7-8-15-14(9-13)18-16(19)10-20-15/h7-9,11-12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyOSCBJTPOWIDJDT-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802886
N-[(1S)-1-cyclohexylethyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802870
6-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 43767741
6-[1-(4-fluorophenyl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 43181500
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
6-[amino(cyclooctyl)methyl]-4H-1,4-benzoxazin-3-one
CID 65018254
6-(hexan-3-ylamino)-4H-1,4-benzoxazin-3-one
CID 103930958
6-[(3-methylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 104860016
6-[(3-cyclopropylcyclohexyl)amino]-4H-1,4-benzoxazin-3-one
CID 64594254
1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide
CID 24559929
6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43609607
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one (CID 43767738) is 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one is CC(Nc1ccc2c(c1)NC(=O)CO2)C1CCCCC1.
What is the InChIKey of 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one?
The InChIKey is OSCBJTPOWIDJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(12-5-3-2-4-6-12)17-13-7-8-15-14(9-13)18-16(19)10-20-15/h7-9,11-12,17H,2-6,10H2,1H3,(H,18,19).
What are the key properties of 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one?
6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one has a molecular weight of 274.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylethylamino)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43767738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).