2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone

C18H27NO2 — CID 43794243

IUPAC2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CN(CC)C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(15-10-6-5-7-11-15)14-17(20)16-12-8-9-13-18(16)21-4-2/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3
InChIKeyQKGFVOWZAJHPKC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.92
Rot. Bonds7

About 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone

2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone (PubChem CID 43794243) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
PubChem CID43794243
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CN(CC)C1CCCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(15-10-6-5-7-11-15)14-17(20)16-12-8-9-13-18(16)21-4-2/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3
InChIKeyQKGFVOWZAJHPKC-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 51610872
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone (CID 43794243) is 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)CN(CC)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone?
The InChIKey is QKGFVOWZAJHPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19(15-10-6-5-7-11-15)14-17(20)16-12-8-9-13-18(16)21-4-2/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3.
What are the key properties of 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone?
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 43794243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).