N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide

C25H41NO3 — CID 11654304

IUPACN-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28)
InChIKeyXFHZHCKWTBGPFD-UHFFFAOYSA-N
MW403.61 g/mol
LogP6.29
Rot. Bonds17

About N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide

N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide (PubChem CID 11654304) has the molecular formula C25H41NO3 and a molecular weight of 403.61 g/mol. Its IUPAC name is N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide.

Molecular Properties

Compound NameN-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
PubChem CID11654304
Molecular FormulaC25H41NO3
Molecular Weight403.61 g/mol
Exact Mass403.31
IUPAC NameN-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1
InChIInChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28)
InChIKeyXFHZHCKWTBGPFD-UHFFFAOYSA-N
XLogP6.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 56.29
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-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide
CID 11605290
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-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
The IUPAC name of N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide (CID 11654304) is N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide.
What is the SMILES notation for N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
The canonical SMILES for N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide is CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
The InChIKey is XFHZHCKWTBGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28).
What are the key properties of N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide?
N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide has a molecular weight of 403.61 g/mol, XLogP of 6.29, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide is sourced from PubChem (CID 11654304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).