ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride

C20H32ClNO2 — CID 70344670

IUPACethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCCC1N(C(C)C)C(C)C.Cl
InChIInChI=1S/C20H31NO2.ClH/c1-6-23-19(22)20(17-11-8-7-9-12-17)14-10-13-18(20)21(15(2)3)16(4)5;/h7-9,11-12,15-16,18H,6,10,13-14H2,1-5H3;1H
InChIKeyZGZZCZBNSBOFOU-UHFFFAOYSA-N
MW353.93 g/mol
LogP4.58
Rot. Bonds6

About ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride

ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride (PubChem CID 70344670) has the molecular formula C20H32ClNO2 and a molecular weight of 353.93 g/mol. Its IUPAC name is ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride
PubChem CID70344670
Molecular FormulaC20H32ClNO2
Molecular Weight353.93 g/mol
Exact Mass353.21
IUPAC Nameethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCCC1N(C(C)C)C(C)C.Cl
InChIInChI=1S/C20H31NO2.ClH/c1-6-23-19(22)20(17-11-8-7-9-12-17)14-10-13-18(20)21(15(2)3)16(4)5;/h7-9,11-12,15-16,18H,6,10,13-14H2,1-5H3;1H
InChIKeyZGZZCZBNSBOFOU-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.93
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate
CID 175043420
ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
CID 91750699
ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
CID 13218496
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl (3S,4S)-1,3-dimethyl-4-phenylazepane-4-carboxylate
CID 76967995
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
CID 13218449
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 3040375
2-[1-[3-(aminomethyl)pentan-3-yloxy]ethyl]-1-phenylcyclopentane-1-carboxylic acid
CID 70149552
2-(2-amino-3-methyl-2-propan-2-ylbutyl)-1-phenylcyclopentane-1-carboxylic acid
CID 68914356

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride (CID 70344670) is ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride is CCOC(=O)C1(c2ccccc2)CCCC1N(C(C)C)C(C)C.Cl.
What is the InChIKey of ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride?
The InChIKey is ZGZZCZBNSBOFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2.ClH/c1-6-23-19(22)20(17-11-8-7-9-12-17)14-10-13-18(20)21(15(2)3)16(4)5;/h7-9,11-12,15-16,18H,6,10,13-14H2,1-5H3;1H.
What are the key properties of ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride?
ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride has a molecular weight of 353.93 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[di(propan-2-yl)amino]-1-phenylcyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 70344670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).