N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide

C21H33NO3 — CID 11653150

IUPACN-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide
SMILESCCCCCCc1ccc(OCCCCCC(=O)NC2CC2)cc1O
InChIInChI=1S/C21H33NO3/c1-2-3-4-6-9-17-11-14-19(16-20(17)23)25-15-8-5-7-10-21(24)22-18-12-13-18/h11,14,16,18,23H,2-10,12-13,15H2,1H3,(H,22,24)
InChIKeyGAGMEEQOOSHHJQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.73
Rot. Bonds13

About N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide

N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide (PubChem CID 11653150) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide
PubChem CID11653150
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC NameN-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide
SMILESCCCCCCc1ccc(OCCCCCC(=O)NC2CC2)cc1O
InChIInChI=1S/C21H33NO3/c1-2-3-4-6-9-17-11-14-19(16-20(17)23)25-15-8-5-7-10-21(24)22-18-12-13-18/h11,14,16,18,23H,2-10,12-13,15H2,1H3,(H,22,24)
InChIKeyGAGMEEQOOSHHJQ-UHFFFAOYSA-N
XLogP4.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.73
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 N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide?
The IUPAC name of N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide (CID 11653150) is N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide.
What is the SMILES notation for N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide?
The canonical SMILES for N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide is CCCCCCc1ccc(OCCCCCC(=O)NC2CC2)cc1O.
What is the InChIKey of N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide?
The InChIKey is GAGMEEQOOSHHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c1-2-3-4-6-9-17-11-14-19(16-20(17)23)25-15-8-5-7-10-21(24)22-18-12-13-18/h11,14,16,18,23H,2-10,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide?
N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide has a molecular weight of 347.50 g/mol, XLogP of 4.73, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(4-hexyl-3-hydroxyphenoxy)hexanamide is sourced from PubChem (CID 11653150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).