ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate

C19H29NO2 — CID 175043420

IUPACethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(C)c2)CCCC1N(CC)CC
InChIInChI=1S/C19H29NO2/c1-5-20(6-2)17-12-9-13-19(17,18(21)22-7-3)16-11-8-10-15(4)14-16/h8,10-11,14,17H,5-7,9,12-13H2,1-4H3
InChIKeyFPGLSMJJQJFUGA-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.69
Rot. Bonds6

About ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate

ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate (PubChem CID 175043420) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate
PubChem CID175043420
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Nameethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2cccc(C)c2)CCCC1N(CC)CC
InChIInChI=1S/C19H29NO2/c1-5-20(6-2)17-12-9-13-19(17,18(21)22-7-3)16-11-8-10-15(4)14-16/h8,10-11,14,17H,5-7,9,12-13H2,1-4H3
InChIKeyFPGLSMJJQJFUGA-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate (CID 175043420) is ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2cccc(C)c2)CCCC1N(CC)CC.
What is the InChIKey of ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate?
The InChIKey is FPGLSMJJQJFUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-5-20(6-2)17-12-9-13-19(17,18(21)22-7-3)16-11-8-10-15(4)14-16/h8,10-11,14,17H,5-7,9,12-13H2,1-4H3.
What are the key properties of ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate?
ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate has a molecular weight of 303.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-1-(3-methylphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 175043420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).