2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide

C14H20N2O2 — CID 167943287

IUPAC2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2)10-16(9-13(17)15(3)4)11-7-5-6-8-12(11)18-14/h5-8H,9-10H2,1-4H3
InChIKeyBEULPOLZESNQFR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds2

About 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide

2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide (PubChem CID 167943287) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
PubChem CID167943287
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-14(2)10-16(9-13(17)15(3)4)11-7-5-6-8-12(11)18-14/h5-8H,9-10H2,1-4H3
InChIKeyBEULPOLZESNQFR-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide (CID 167943287) is 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
The InChIKey is BEULPOLZESNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)10-16(9-13(17)15(3)4)11-7-5-6-8-12(11)18-14/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide?
2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 167943287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).