2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate

C20H31NO3 — CID 2562

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IUPAC2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
SMILESCCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
InChIKeyCFJMRBQWBDQYMK-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.40
Rot. Bonds10

About 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate

2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 2562) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
PubChem CID2562
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
SMILESCCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
InChIKeyCFJMRBQWBDQYMK-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Butamirate
CID 28892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate (CID 2562) is 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate is CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is CFJMRBQWBDQYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate?
2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 333.47 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 2562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).