3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C14H28N2O4 — CID 104565358

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCOCCOCCOC1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C14H28N2O4/c1-11(2)16-14(13(15)17)5-4-12(10-14)20-9-8-19-7-6-18-3/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyDSXVQHBMGJZQKM-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.44
Rot. Bonds10

About 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 104565358) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID104565358
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCOCCOCCOC1CCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C14H28N2O4/c1-11(2)16-14(13(15)17)5-4-12(10-14)20-9-8-19-7-6-18-3/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyDSXVQHBMGJZQKM-UHFFFAOYSA-N
XLogP0.44
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 104565358) is 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is COCCOCCOC1CCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is DSXVQHBMGJZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)16-14(13(15)17)5-4-12(10-14)20-9-8-19-7-6-18-3/h11-12,16H,4-10H2,1-3H3,(H2,15,17).
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 0.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 104565358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).