2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide

C17H32N2O2 — CID 79587215

IUPAC2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCOCC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-2-19-17(16(18)20)11-6-9-15(17)10-12-21-13-14-7-4-3-5-8-14/h14-15,19H,2-13H2,1H3,(H2,18,20)
InChIKeyFAJLEZYKPRHCMY-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.61
Rot. Bonds8

About 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide

2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79587215) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79587215
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCOCC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-2-19-17(16(18)20)11-6-9-15(17)10-12-21-13-14-7-4-3-5-8-14/h14-15,19H,2-13H2,1H3,(H2,18,20)
InChIKeyFAJLEZYKPRHCMY-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
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 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide (CID 79587215) is 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCCC1CCOCC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is FAJLEZYKPRHCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-19-17(16(18)20)11-6-9-15(17)10-12-21-13-14-7-4-3-5-8-14/h14-15,19H,2-13H2,1H3,(H2,18,20).
What are the key properties of 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethoxy)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79587215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).