2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate

C18H27NO2 — CID 6472

IUPAC2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyOFAIGZWCDGNZGT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds7

About 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate

2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 6472) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
PubChem CID6472
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
SMILESCCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyOFAIGZWCDGNZGT-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate (CID 6472) is 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate is CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is OFAIGZWCDGNZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate?
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 6472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).