2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

C24H32N2O3 — CID 42625433

IUPAC2-(diethylamino)-1-(6-methoxy-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)c(OC)c(C)c21
InChIInChI=1S/C24H32N2O3/c1-7-25(8-2)15-21(27)26-14-20(19-12-10-9-11-13-19)29-24-17(4)16(3)23(28-6)18(5)22(24)26/h9-13,20H,7-8,14-15H2,1-6H3
InChIKeyRWJBRBTVKREYLN-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.43
Rot. Bonds6

About 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 42625433) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID42625433
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(diethylamino)-1-(6-methoxy-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)c(OC)c(C)c21
InChIInChI=1S/C24H32N2O3/c1-7-25(8-2)15-21(27)26-14-20(19-12-10-9-11-13-19)29-24-17(4)16(3)23(28-6)18(5)22(24)26/h9-13,20H,7-8,14-15H2,1-6H3
InChIKeyRWJBRBTVKREYLN-UHFFFAOYSA-N
XLogP4.43
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-diethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide hydrochloride
CID 6603085
N-(2,5-diethoxyphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]acetamide hydrochloride
CID 6603086
2-(Diethylamino)-1-(5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 42625432
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
N-(2,5-Diethoxy-phenyl)-2-[4-(2,3-dimethyl-phenyl)-piperazin-1-yl]-acetamide
CID 645347
N-(2,5-Diethoxy-phenyl)-2-[4-(2,5-dimethyl-phenyl)-piperazin-1-yl]-acetamide
CID 648017
2-(Diethylamino)-1-(5,7,8-trimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 42625350
1-[(2S)-6-chloro-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(diethylamino)ethanone
CID 42625529
1-(6-Chloro-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(diethylamino)ethanone
CID 42625687
1-[(2R)-6-chloro-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(diethylamino)ethanone
CID 42625762
N-(2,5-Diethoxy-phenyl)-2-[4-(2,4-dimethyl-phenyl)-piperazin-1-yl]-acetamide
CID 654504

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 42625433) is 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(6-methoxy-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)c(OC)c(C)c21.
What is the InChIKey of 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is RWJBRBTVKREYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-7-25(8-2)15-21(27)26-14-20(19-12-10-9-11-13-19)29-24-17(4)16(3)23(28-6)18(5)22(24)26/h9-13,20H,7-8,14-15H2,1-6H3.
What are the key properties of 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 396.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(6-methoxy-5,7,8-trimethyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 42625433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).