2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide

C14H28N2O3 — CID 79581463

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCOCCOC
InChIInChI=1S/C14H28N2O3/c1-3-8-16-14(13(15)17)7-4-5-12(14)6-9-19-11-10-18-2/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyJPZYRFPBOVLPAJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide

2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide (PubChem CID 79581463) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
PubChem CID79581463
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCOCCOC
InChIInChI=1S/C14H28N2O3/c1-3-8-16-14(13(15)17)7-4-5-12(14)6-9-19-11-10-18-2/h12,16H,3-11H2,1-2H3,(H2,15,17)
InChIKeyJPZYRFPBOVLPAJ-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide (CID 79581463) is 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide is CCCNC1(C(N)=O)CCCC1CCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The InChIKey is JPZYRFPBOVLPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-8-16-14(13(15)17)7-4-5-12(14)6-9-19-11-10-18-2/h12,16H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79581463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).