1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone

C18H28N2O2 — CID 82261734

IUPAC1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone
SMILESCCCCCCNCC(=O)c1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C18H28N2O2/c1-4-5-6-7-10-19-12-16(21)14-8-9-17-15(11-14)20-13-18(2,3)22-17/h8-9,11,19-20H,4-7,10,12-13H2,1-3H3
InChIKeyUEOCGQDGTUHNMU-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.62
Rot. Bonds8

About 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone

1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone (PubChem CID 82261734) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone
PubChem CID82261734
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone
SMILESCCCCCCNCC(=O)c1ccc2c(c1)NCC(C)(C)O2
InChIInChI=1S/C18H28N2O2/c1-4-5-6-7-10-19-12-16(21)14-8-9-17-15(11-14)20-13-18(2,3)22-17/h8-9,11,19-20H,4-7,10,12-13H2,1-3H3
InChIKeyUEOCGQDGTUHNMU-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82261747
N-hexyl-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82098729
2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82260997
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(3-hydroxypropylamino)propan-1-one
CID 82261755
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
2-(hexylamino)-1-phenylethanone
CID 82101185
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
2-(dimethylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82261019
2-(cyclopentylamino)-1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)propan-1-one
CID 82261767
2-(2-hydroxyethylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethanone
CID 82261643

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone (CID 82261734) is 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone is CCCCCCNCC(=O)c1ccc2c(c1)NCC(C)(C)O2.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone?
The InChIKey is UEOCGQDGTUHNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-5-6-7-10-19-12-16(21)14-8-9-17-15(11-14)20-13-18(2,3)22-17/h8-9,11,19-20H,4-7,10,12-13H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone?
1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone has a molecular weight of 304.43 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-6-yl)-2-(hexylamino)ethanone is sourced from PubChem (CID 82261734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).