1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone

C18H27NO2 — CID 79058681

IUPAC1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2ccccc2OC)CCCC1
InChIInChI=1S/C18H27NO2/c1-4-19(5-2)18(12-8-9-13-18)17(20)14-15-10-6-7-11-16(15)21-3/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3
InChIKeyKIUITNYGHVTYFV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.46
Rot. Bonds7

About 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone

1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone (PubChem CID 79058681) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
PubChem CID79058681
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2ccccc2OC)CCCC1
InChIInChI=1S/C18H27NO2/c1-4-19(5-2)18(12-8-9-13-18)17(20)14-15-10-6-7-11-16(15)21-3/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3
InChIKeyKIUITNYGHVTYFV-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067763
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 62004520
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 115308488
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070163
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclobutane-1-carboxamide
CID 81169240

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone (CID 79058681) is 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone is CCN(CC)C1(C(=O)Cc2ccccc2OC)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is KIUITNYGHVTYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-19(5-2)18(12-8-9-13-18)17(20)14-15-10-6-7-11-16(15)21-3/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone?
1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 79058681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).