2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate

C20H31NO4 — CID 659362

IUPAC2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
InChIInChI=1S/C20H31NO4/c1-5-21(6-2)13-14-25-19(22)20(11-7-8-12-20)16-9-10-17(23-3)18(15-16)24-4/h9-10,15H,5-8,11-14H2,1-4H3
InChIKeyYVJRGMIUOAMCIO-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.40
Rot. Bonds9

About 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate

2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate (PubChem CID 659362) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
PubChem CID659362
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1
InChIInChI=1S/C20H31NO4/c1-5-21(6-2)13-14-25-19(22)20(11-7-8-12-20)16-9-10-17(23-3)18(15-16)24-4/h9-10,15H,5-8,11-14H2,1-4H3
InChIKeyYVJRGMIUOAMCIO-UHFFFAOYSA-N
XLogP3.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;methyl acetate;hydrochloride
CID 67678429
2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate
CID 30448665
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
ethyl 1-(3,4-dimethoxyphenyl)-2-oxocyclopentane-1-carboxylate
CID 10085709
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 16520238
methyl 1-(3-bromo-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963863
1-(3,4-dimethoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)cyclopentane-1-carboxamide
CID 90651852
1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 118763273
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate (CID 659362) is 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate is CCN(CC)CCOC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate?
The InChIKey is YVJRGMIUOAMCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-5-21(6-2)13-14-25-19(22)20(11-7-8-12-20)16-9-10-17(23-3)18(15-16)24-4/h9-10,15H,5-8,11-14H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate?
2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate has a molecular weight of 349.47 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 659362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).