2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

C17H26N2O2 — CID 42625350

IUPAC2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCCN(CC)CC(=O)N1CCOc2c(C)c(C)cc(C)c21
InChIInChI=1S/C17H26N2O2/c1-6-18(7-2)11-15(20)19-8-9-21-17-14(5)12(3)10-13(4)16(17)19/h10H,6-9,11H2,1-5H3
InChIKeyTUZDAVZAAWQUSB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds4

About 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 42625350) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID42625350
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCCN(CC)CC(=O)N1CCOc2c(C)c(C)cc(C)c21
InChIInChI=1S/C17H26N2O2/c1-6-18(7-2)11-15(20)19-8-9-21-17-14(5)12(3)10-13(4)16(17)19/h10H,6-9,11H2,1-5H3
InChIKeyTUZDAVZAAWQUSB-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 42625350) is 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is CCN(CC)CC(=O)N1CCOc2c(C)c(C)cc(C)c21.
What is the InChIKey of 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is TUZDAVZAAWQUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-18(7-2)11-15(20)19-8-9-21-17-14(5)12(3)10-13(4)16(17)19/h10H,6-9,11H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 42625350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).