6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one

C15H20N2O4 — CID 106658287

IUPAC6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(NC3COC(C)(C)OC3)cc2NC1=O
InChIInChI=1S/C15H20N2O4/c1-9-14(18)17-12-6-10(4-5-13(12)21-9)16-11-7-19-15(2,3)20-8-11/h4-6,9,11,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyOUIFTXYDWKYFRS-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.97
Rot. Bonds2

About 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one

6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 106658287) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID106658287
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(NC3COC(C)(C)OC3)cc2NC1=O
InChIInChI=1S/C15H20N2O4/c1-9-14(18)17-12-6-10(4-5-13(12)21-9)16-11-7-19-15(2,3)20-8-11/h4-6,9,11,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyOUIFTXYDWKYFRS-UHFFFAOYSA-N
XLogP1.97
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one (CID 106658287) is 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(NC3COC(C)(C)OC3)cc2NC1=O.
What is the InChIKey of 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is OUIFTXYDWKYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-14(18)17-12-6-10(4-5-13(12)21-9)16-11-7-19-15(2,3)20-8-11/h4-6,9,11,16H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one?
6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 292.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 106658287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).