N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide

C26H45NO2 — CID 71453037

IUPACN-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1ccc(CCCC)cc1
InChIInChI=1S/C26H45NO2/c1-3-5-7-8-9-10-11-12-13-14-15-17-26(29)27-22-25(28)24-20-18-23(19-21-24)16-6-4-2/h18-21,25,28H,3-17,22H2,1-2H3,(H,27,29)
InChIKeyPELJRPIDGTUJGG-UHFFFAOYSA-N
MW403.65 g/mol
LogP6.88
Rot. Bonds18

About N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide

N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide (PubChem CID 71453037) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide
PubChem CID71453037
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC NameN-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1ccc(CCCC)cc1
InChIInChI=1S/C26H45NO2/c1-3-5-7-8-9-10-11-12-13-14-15-17-26(29)27-22-25(28)24-20-18-23(19-21-24)16-6-4-2/h18-21,25,28H,3-17,22H2,1-2H3,(H,27,29)
InChIKeyPELJRPIDGTUJGG-UHFFFAOYSA-N
XLogP6.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide?
The IUPAC name of N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide (CID 71453037) is N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide.
What is the SMILES notation for N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide?
The canonical SMILES for N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(CCCC)cc1.
What is the InChIKey of N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide?
The InChIKey is PELJRPIDGTUJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-3-5-7-8-9-10-11-12-13-14-15-17-26(29)27-22-25(28)24-20-18-23(19-21-24)16-6-4-2/h18-21,25,28H,3-17,22H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide?
N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide has a molecular weight of 403.65 g/mol, XLogP of 6.88, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenyl)-2-hydroxyethyl]tetradecanamide is sourced from PubChem (CID 71453037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).