N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide

C20H32N2O2 — CID 15105207

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCCN(CC)CCOCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H32N2O2/c1-3-22(4-2)15-17-24-16-14-21-19(23)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,(H,21,23)
InChIKeyODTXZWOEYDRFEF-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.97
Rot. Bonds10

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

N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 15105207) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID15105207
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCCN(CC)CCOCCNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H32N2O2/c1-3-22(4-2)15-17-24-16-14-21-19(23)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,(H,21,23)
InChIKeyODTXZWOEYDRFEF-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide (CID 15105207) is N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide is CCN(CC)CCOCCNC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is ODTXZWOEYDRFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-22(4-2)15-17-24-16-14-21-19(23)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,(H,21,23).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 15105207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).