2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone

C19H29NO — CID 104690736

IUPAC2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CCCCCC2CC)cc1
InChIInChI=1S/C19H29NO/c1-3-8-16-10-12-17(13-11-16)19(21)15-20-14-7-5-6-9-18(20)4-2/h10-13,18H,3-9,14-15H2,1-2H3
InChIKeyYRUNJEPFLBMLRV-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone

2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone (PubChem CID 104690736) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
PubChem CID104690736
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CCCCCC2CC)cc1
InChIInChI=1S/C19H29NO/c1-3-8-16-10-12-17(13-11-16)19(21)15-20-14-7-5-6-9-18(20)4-2/h10-13,18H,3-9,14-15H2,1-2H3
InChIKeyYRUNJEPFLBMLRV-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)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-(hydroxymethyl)azepan-1-yl]-1-(4-propylphenyl)ethanone
CID 116635374
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
4-[2-(2-ethylpyrrolidin-1-yl)acetyl]benzonitrile
CID 54885976
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
1-(3-bromo-4-methoxyphenyl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690667
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
CID 63633398
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 43219533

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone (CID 104690736) is 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN2CCCCCC2CC)cc1.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone?
The InChIKey is YRUNJEPFLBMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-8-16-10-12-17(13-11-16)19(21)15-20-14-7-5-6-9-18(20)4-2/h10-13,18H,3-9,14-15H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone?
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone has a molecular weight of 287.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 104690736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).