6-amino-N-(4-cyclopentyloxyphenyl)hexanamide

C17H26N2O2 — CID 43706244

IUPAC6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
SMILESNCCCCCC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c18-13-5-1-2-8-17(20)19-14-9-11-16(12-10-14)21-15-6-3-4-7-15/h9-12,15H,1-8,13,18H2,(H,19,20)
InChIKeyKLFWPRHOUGHJJF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.47
Rot. Bonds8

About 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide

6-amino-N-(4-cyclopentyloxyphenyl)hexanamide (PubChem CID 43706244) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
PubChem CID43706244
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
SMILESNCCCCCC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c18-13-5-1-2-8-17(20)19-14-9-11-16(12-10-14)21-15-6-3-4-7-15/h9-12,15H,1-8,13,18H2,(H,19,20)
InChIKeyKLFWPRHOUGHJJF-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.47
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 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide?
The IUPAC name of 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide (CID 43706244) is 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide is NCCCCCC(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide?
The InChIKey is KLFWPRHOUGHJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-13-5-1-2-8-17(20)19-14-9-11-16(12-10-14)21-15-6-3-4-7-15/h9-12,15H,1-8,13,18H2,(H,19,20).
What are the key properties of 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide?
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide has a molecular weight of 290.41 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-cyclopentyloxyphenyl)hexanamide is sourced from PubChem (CID 43706244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).