N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide

C26H43NO3 — CID 11668868

IUPACN-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide
SMILESCCCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O
InChIInChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(21-25(22)28)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
InChIKeyVBVLZYYLRYTLLX-UHFFFAOYSA-N
MW417.63 g/mol
LogP6.68
Rot. Bonds18

About N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide

N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide (PubChem CID 11668868) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide.

Molecular Properties

Compound NameN-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide
PubChem CID11668868
Molecular FormulaC26H43NO3
Molecular Weight417.63 g/mol
Exact Mass417.32
IUPAC NameN-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide
SMILESCCCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O
InChIInChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(21-25(22)28)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)
InChIKeyVBVLZYYLRYTLLX-UHFFFAOYSA-N
XLogP6.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 56.68
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-(2-hexyl-5-hydroxyphenoxy)undecanamide
CID 11495398
N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 11654304
N-cyclopropyl-8-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]octanamide
CID 42625202
N-(2,4-dimethoxyphenethyl)oleamide
CID 44406080
N-cyclopropyl-3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamide
CID 6217287
N-cycloheptyl-2-(2,4-dimethoxyphenyl)acetamide
CID 9113959
6-(3-Hydroxy-5-pentylphenoxy)hexanoic acid cyclopropylamide
CID 11493699
11-(2-Hexyl-5-hydroxyphenoxy)undecanoic acid (2-hydroxyethyl)amide
CID 11502689
11-(3-Hydroxy-5-pentylphenoxy)undecanoic acid (2-hydroxyethyl)amide
CID 11575063
6-(3-Hydroxy-4-hexylphenoxy)hexanoic acid cyclopropylamide
CID 11653150
N-(2,4-dimethoxyphenethyl)docos-13-enamide
CID 44406095
N-cyclopropyl-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide
CID 6236173

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide?
The IUPAC name of N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide (CID 11668868) is N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide.
What is the SMILES notation for N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide?
The canonical SMILES for N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide is CCCCCCc1ccc(OCCCCCCCCCCC(=O)NC2CC2)cc1O.
What is the InChIKey of N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide?
The InChIKey is VBVLZYYLRYTLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(21-25(22)28)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29).
What are the key properties of N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide?
N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide has a molecular weight of 417.63 g/mol, XLogP of 6.68, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-11-(4-hexyl-3-hydroxyphenoxy)undecanamide is sourced from PubChem (CID 11668868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).