N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide

C30H51NO3 — CID 11605290

IUPACN-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C30H51NO3/c1-2-3-15-18-26-23-28(32)25-29(24-26)34-22-17-14-12-10-8-6-4-5-7-9-11-13-16-19-30(33)31-27-20-21-27/h23-25,27,32H,2-22H2,1H3,(H,31,33)
InChIKeyZCFMDXLPNKCBKT-UHFFFAOYSA-N
MW473.74 g/mol
LogP8.24
Rot. Bonds22

About N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide

N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide (PubChem CID 11605290) has the molecular formula C30H51NO3 and a molecular weight of 473.74 g/mol. Its IUPAC name is N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide.

Molecular Properties

Compound NameN-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide
PubChem CID11605290
Molecular FormulaC30H51NO3
Molecular Weight473.74 g/mol
Exact Mass473.39
IUPAC NameN-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C30H51NO3/c1-2-3-15-18-26-23-28(32)25-29(24-26)34-22-17-14-12-10-8-6-4-5-7-9-11-13-16-19-30(33)31-27-20-21-27/h23-25,27,32H,2-22H2,1H3,(H,31,33)
InChIKeyZCFMDXLPNKCBKT-UHFFFAOYSA-N
XLogP8.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.74
LogP ≤ 58.24
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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Related Compounds

N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 11654304
cyclopropanamine;11-(3-hydroxy-5-pentylphenoxy)undecanoic acid
CID 69037430
N-(1-adamantyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 118710965
6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11494742
8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide
CID 118710952
3-ethoxy-5-octadecylphenol
CID 118876083
5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
CID 90738357
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide?
The IUPAC name of N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide (CID 11605290) is N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide.
What is the SMILES notation for N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide?
The canonical SMILES for N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide is CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide?
The InChIKey is ZCFMDXLPNKCBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51NO3/c1-2-3-15-18-26-23-28(32)25-29(24-26)34-22-17-14-12-10-8-6-4-5-7-9-11-13-16-19-30(33)31-27-20-21-27/h23-25,27,32H,2-22H2,1H3,(H,31,33).
What are the key properties of N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide?
N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide has a molecular weight of 473.74 g/mol, XLogP of 8.24, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide is sourced from PubChem (CID 11605290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).