N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide

C20H31NO3 — CID 11493699

IUPACN-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide
SMILESCCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C20H31NO3/c1-2-3-5-8-16-13-18(22)15-19(14-16)24-12-7-4-6-9-20(23)21-17-10-11-17/h13-15,17,22H,2-12H2,1H3,(H,21,23)
InChIKeyHBILZCDAOBDBDT-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.34
Rot. Bonds12

About N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide

N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide (PubChem CID 11493699) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide
PubChem CID11493699
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide
SMILESCCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C20H31NO3/c1-2-3-5-8-16-13-18(22)15-19(14-16)24-12-7-4-6-9-20(23)21-17-10-11-17/h13-15,17,22H,2-12H2,1H3,(H,21,23)
InChIKeyHBILZCDAOBDBDT-UHFFFAOYSA-N
XLogP4.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.34
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-(3-hydroxy-5-pentylphenoxy)hexanamide?
The IUPAC name of N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide (CID 11493699) is N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide.
What is the SMILES notation for N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide?
The canonical SMILES for N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide is CCCCCc1cc(O)cc(OCCCCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide?
The InChIKey is HBILZCDAOBDBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-2-3-5-8-16-13-18(22)15-19(14-16)24-12-7-4-6-9-20(23)21-17-10-11-17/h13-15,17,22H,2-12H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide?
N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide has a molecular weight of 333.47 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(3-hydroxy-5-pentylphenoxy)hexanamide is sourced from PubChem (CID 11493699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).