6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one

C15H22N2O2 — CID 103930986

IUPAC6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCCCC(CC)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H22N2O2/c1-4-6-11(5-2)16-12-7-8-14-13(9-12)17-15(18)10(3)19-14/h7-11,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyFGEYVFBDYAWSQF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.40
Rot. Bonds5

About 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one

6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 103930986) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID103930986
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCCCC(CC)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C15H22N2O2/c1-4-6-11(5-2)16-12-7-8-14-13(9-12)17-15(18)10(3)19-14/h7-11,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyFGEYVFBDYAWSQF-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
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

2-methyl-6-(2-methylpentylamino)-4H-1,4-benzoxazin-3-one
CID 43685662
6-(hexan-3-ylamino)-4H-1,4-benzoxazin-3-one
CID 103930958
6-(hex-5-en-2-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 104583810
2-methyl-6-(2-methylbutylamino)-4H-1,4-benzoxazin-3-one
CID 43685669
(2S)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-phenylpentanamide
CID 9145292
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82494411
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
6-(1-hydroxypropyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 22623043
6-[(1R)-1-hydroxypropyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82758141
6-(cyclopropylmethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43685723
6-(3-chloropropylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 115215423

Frequently Asked Questions

What is the IUPAC name of 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one (CID 103930986) is 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one is CCCC(CC)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is FGEYVFBDYAWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-11(5-2)16-12-7-8-14-13(9-12)17-15(18)10(3)19-14/h7-11,16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one?
6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103930986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).