7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one

C15H22N2O2 — CID 83155673

IUPAC7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one
SMILESCC(C)CCCN1C(=O)C(C)Oc2cc(N)ccc21
InChIInChI=1S/C15H22N2O2/c1-10(2)5-4-8-17-13-7-6-12(16)9-14(13)19-11(3)15(17)18/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyRSHOJXGNXZVKIL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.82
Rot. Bonds4

About 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one

7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one (PubChem CID 83155673) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one
PubChem CID83155673
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one
SMILESCC(C)CCCN1C(=O)C(C)Oc2cc(N)ccc21
InChIInChI=1S/C15H22N2O2/c1-10(2)5-4-8-17-13-7-6-12(16)9-14(13)19-11(3)15(17)18/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyRSHOJXGNXZVKIL-UHFFFAOYSA-N
XLogP2.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-4-(3-ethylsulfonylpropyl)-2-methyl-1,4-benzoxazin-3-one
CID 65093329
7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
CID 62987546
7-amino-4-(3-hydroxy-3-methylbutyl)-2-methyl-1,4-benzoxazin-3-one
CID 79354843
6-amino-2-methyl-4-[3-(methylamino)propyl]-1,4-benzoxazin-3-one
CID 115197702
6-amino-4-(4-aminobutyl)-2-methyl-1,4-benzoxazin-3-one
CID 115201020
2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide
CID 62988767
6-hydroxy-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one
CID 82063456
4-heptyl-7-hydroxy-2-methyl-1,4-benzoxazin-3-one
CID 82063646
6-amino-4-(3-amino-2-methylpropyl)-2-methyl-1,4-benzoxazin-3-one
CID 115198284
2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(cyanomethyl)acetamide
CID 62989118
6-amino-4-(1-aminopropan-2-yl)-2-methyl-1,4-benzoxazin-3-one
CID 117039853
4-(5-chloropentyl)-2-methyl-1,4-benzoxazin-3-one
CID 43348370

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one (CID 83155673) is 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one is CC(C)CCCN1C(=O)C(C)Oc2cc(N)ccc21.
What is the InChIKey of 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one?
The InChIKey is RSHOJXGNXZVKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)5-4-8-17-13-7-6-12(16)9-14(13)19-11(3)15(17)18/h6-7,9-11H,4-5,8,16H2,1-3H3.
What are the key properties of 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one?
7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 83155673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).