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

C23H30N2O2 — CID 42625432

IUPAC2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCCN(CC)CC(=O)N1CC(c2ccccc2)Oc2c(C)c(C)cc(C)c21
InChIInChI=1S/C23H30N2O2/c1-6-24(7-2)15-21(26)25-14-20(19-11-9-8-10-12-19)27-23-18(5)16(3)13-17(4)22(23)25/h8-13,20H,6-7,14-15H2,1-5H3
InChIKeyMUHGROROZPTGFA-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.42
Rot. Bonds5

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

2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 42625432) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID42625432
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCCN(CC)CC(=O)N1CC(c2ccccc2)Oc2c(C)c(C)cc(C)c21
InChIInChI=1S/C23H30N2O2/c1-6-24(7-2)15-21(26)25-14-20(19-11-9-8-10-12-19)27-23-18(5)16(3)13-17(4)22(23)25/h8-13,20H,6-7,14-15H2,1-5H3
InChIKeyMUHGROROZPTGFA-UHFFFAOYSA-N
XLogP4.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-Dimethyl-4-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 44449079
4-(2,5-Dimethyl-benzyl)-2,6-dimethyl-4H-benzo[1,4]oxazin-3-one
CID 647563
1-[(2,3-Dimethylphenoxy)acetyl]-4-(2-methoxyphenyl)piperazine
CID 1296741
1-[4-(2,3-Dimethylphenyl)piperazin-1-YL]-4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-YL)butane-1,4-dione
CID 22512971
2-(2,5-Dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 1317425
5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 42625342
ethyl 4-[2-(diethylamino)acetyl]-2,5,7,8-tetramethyl-3H-1,4-benzoxazine-2-carboxylate
CID 42625526
2-(diethylamino)-1-(2,2,5,7,8-pentamethyl-3H-1,4-benzoxazin-4-yl)ethanone
CID 42625685
2-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71453917
3-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71457427
6-(4-methoxyphenyl)-5,7,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71461064
4-(2,5-Dimethyl-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431718

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 42625432) is 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is CCN(CC)CC(=O)N1CC(c2ccccc2)Oc2c(C)c(C)cc(C)c21.
What is the InChIKey of 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is MUHGROROZPTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-6-24(7-2)15-21(26)25-14-20(19-11-9-8-10-12-19)27-23-18(5)16(3)13-17(4)22(23)25/h8-13,20H,6-7,14-15H2,1-5H3.
What are the key properties of 2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
2-(diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 366.51 g/mol, XLogP of 4.42, 5 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-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 42625432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).