8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one

C15H22N2O2 — CID 82233169

IUPAC8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2c(N)cc(C(C)(C)C)cc2NC1=O
InChIInChI=1S/C15H22N2O2/c1-8(2)12-14(18)17-11-7-9(15(3,4)5)6-10(16)13(11)19-12/h6-8,12H,16H2,1-5H3,(H,17,18)
InChIKeyNEIQKNKBUZGILJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.92
Rot. Bonds1

About 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one

8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one (PubChem CID 82233169) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one
PubChem CID82233169
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2c(N)cc(C(C)(C)C)cc2NC1=O
InChIInChI=1S/C15H22N2O2/c1-8(2)12-14(18)17-11-7-9(15(3,4)5)6-10(16)13(11)19-12/h6-8,12H,16H2,1-5H3,(H,17,18)
InChIKeyNEIQKNKBUZGILJ-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-8-bromo-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82233827
6-amino-8-chloro-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231889
9-amino-7-tert-butyl-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232358
6,8-dichloro-7-methyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 69261698
6-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 82231064
8-methoxy-3-oxo-2-propan-2-yl-4H-1,4-benzoxazine-6-carbaldehyde
CID 82154064
(8-bromo-3-oxo-2-propan-2-yl-4H-1,4-benzoxazin-6-yl)methyl carbamate
CID 118471865
6-(aminomethyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82330827
5-amino-7-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 84741043
2-[8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-3-oxo-2-propan-2-yl-4H-1,4-benzoxazin-6-yl]propane-2-sulfinate
CID 135367954
6-(2-aminoethyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339533
6-(2-aminopropanoyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339518

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one (CID 82233169) is 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one is CC(C)C1Oc2c(N)cc(C(C)(C)C)cc2NC1=O.
What is the InChIKey of 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
The InChIKey is NEIQKNKBUZGILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-8(2)12-14(18)17-11-7-9(15(3,4)5)6-10(16)13(11)19-12/h6-8,12H,16H2,1-5H3,(H,17,18).
What are the key properties of 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one?
8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-tert-butyl-2-propan-2-yl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82233169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).