6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one

C16H24N2O3 — CID 82028570

IUPAC6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(N)C(C)(C)C)cc2N(CCO)C1=O
InChIInChI=1S/C16H24N2O3/c1-10-15(20)18(7-8-19)12-9-11(5-6-13(12)21-10)14(17)16(2,3)4/h5-6,9-10,14,19H,7-8,17H2,1-4H3
InChIKeyRIGVMUNMFBSUKM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.84
Rot. Bonds3

About 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one

6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one (PubChem CID 82028570) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one
PubChem CID82028570
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(N)C(C)(C)C)cc2N(CCO)C1=O
InChIInChI=1S/C16H24N2O3/c1-10-15(20)18(7-8-19)12-9-11(5-6-13(12)21-10)14(17)16(2,3)4/h5-6,9-10,14,19H,7-8,17H2,1-4H3
InChIKeyRIGVMUNMFBSUKM-UHFFFAOYSA-N
XLogP1.84
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(1-amino-3-methylbutyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one
CID 82028572
6-(1-amino-2,2-dimethylpropyl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 82028541
6-(2-amino-1-hydroxypropyl)-2-methyl-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 82339958
6-(1-amino-2,2,2-trifluoroethyl)-2-methyl-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 82028499
6-(1-amino-3-methylbutyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82028506
6-[amino(cyclopropyl)methyl]-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one
CID 82028550
4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one
CID 82142321
2-[6-(1-aminopropyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82025884
4-[4-(2-hydroxyethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid
CID 82026275
6-chloro-4-(3-hydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
CID 3044533
6-(1-amino-3-methylbutyl)-4-ethyl-2-methyl-1,4-benzoxazin-3-one
CID 82028534
6-(2-aminoethyl)-4-(3-hydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
CID 115217063

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one (CID 82028570) is 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one is CC1Oc2ccc(C(N)C(C)(C)C)cc2N(CCO)C1=O.
What is the InChIKey of 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one?
The InChIKey is RIGVMUNMFBSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-15(20)18(7-8-19)12-9-11(5-6-13(12)21-10)14(17)16(2,3)4/h5-6,9-10,14,19H,7-8,17H2,1-4H3.
What are the key properties of 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one?
6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2,2-dimethylpropyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82028570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).