5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane

C17H27NO — CID 106177904

IUPAC5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
SMILESCCC1(C)CCOC(c2c(C)cc(C)cc2C)CN1
InChIInChI=1S/C17H27NO/c1-6-17(5)7-8-19-15(11-18-17)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,6-8,11H2,1-5H3
InChIKeyDYKGJABABKQAOD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.83
Rot. Bonds2

About 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane

5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane (PubChem CID 106177904) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
PubChem CID106177904
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
SMILESCCC1(C)CCOC(c2c(C)cc(C)cc2C)CN1
InChIInChI=1S/C17H27NO/c1-6-17(5)7-8-19-15(11-18-17)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,6-8,11H2,1-5H3
InChIKeyDYKGJABABKQAOD-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane 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

5-ethyl-5-methyl-2-phenyl-1,4-oxazepane
CID 106177920
5-ethyl-2-(4-ethylphenyl)-5-methyl-1,4-oxazepane
CID 114154365
4-(5-ethyl-5-methyl-1,4-oxazepan-2-yl)benzonitrile
CID 114154375
4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol
CID 16655529
5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane
CID 83188663
2-(5-ethyl-5-methyl-1,4-oxazepan-2-yl)acetic acid
CID 106177874
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
2-methyl-2-(2-methylpropyl)-6-(2,4,6-trimethylphenyl)morpholine
CID 66178760
5-ethyl-2,5-dimethylmorpholine
CID 22689125
2'-ethyl-5,7-dimethylspiro[1H-indole-3,4'-oxane]-2-one
CID 106702080
2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
CID 64847175

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
The IUPAC name of 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane (CID 106177904) is 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane.
What is the SMILES notation for 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
The canonical SMILES for 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane is CCC1(C)CCOC(c2c(C)cc(C)cc2C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
The InChIKey is DYKGJABABKQAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-17(5)7-8-19-15(11-18-17)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,6-8,11H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane?
5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane has a molecular weight of 261.41 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(2,4,6-trimethylphenyl)-1,4-oxazepane is sourced from PubChem (CID 106177904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).