2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one

C16H22N2O2 — CID 103561194

IUPAC2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(NC3CC(C(C)C)C3)cc2NC1=O
InChIInChI=1S/C16H22N2O2/c1-9(2)11-6-13(7-11)17-12-4-5-15-14(8-12)18-16(19)10(3)20-15/h4-5,8-11,13,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyDIIPJGGNKGTOBW-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one

2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one (PubChem CID 103561194) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
PubChem CID103561194
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(NC3CC(C(C)C)C3)cc2NC1=O
InChIInChI=1S/C16H22N2O2/c1-9(2)11-6-13(7-11)17-12-4-5-15-14(8-12)18-16(19)10(3)20-15/h4-5,8-11,13,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyDIIPJGGNKGTOBW-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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

6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 106658287
6-[(4-aminocyclohexyl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 79724163
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
2-methyl-6-(2-methylbutylamino)-4H-1,4-benzoxazin-3-one
CID 43685669
6-(cyclopropylmethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43685723
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 94176787
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
2-methyl-6-(2-methylpentylamino)-4H-1,4-benzoxazin-3-one
CID 43685662
6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82494411
6-(hexan-3-ylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 103930986
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one (CID 103561194) is 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(NC3CC(C(C)C)C3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is DIIPJGGNKGTOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9(2)11-6-13(7-11)17-12-4-5-15-14(8-12)18-16(19)10(3)20-15/h4-5,8-11,13,17H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one?
2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 274.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-propan-2-ylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103561194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).