N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide

C23H39NO2 — CID 71449426

IUPACN-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1cccc(C)c1
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-23(26)24-19-22(25)21-16-14-15-20(2)18-21/h14-16,18,22,25H,3-13,17,19H2,1-2H3,(H,24,26)
InChIKeyIKKWHHBZYHJFLK-UHFFFAOYSA-N
MW361.57 g/mol
LogP5.85
Rot. Bonds15

About N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide

N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide (PubChem CID 71449426) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide
PubChem CID71449426
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC NameN-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1cccc(C)c1
InChIInChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-23(26)24-19-22(25)21-16-14-15-20(2)18-21/h14-16,18,22,25H,3-13,17,19H2,1-2H3,(H,24,26)
InChIKeyIKKWHHBZYHJFLK-UHFFFAOYSA-N
XLogP5.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.85
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-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide (CID 71449426) is N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(O)c1cccc(C)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide?
The InChIKey is IKKWHHBZYHJFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-23(26)24-19-22(25)21-16-14-15-20(2)18-21/h14-16,18,22,25H,3-13,17,19H2,1-2H3,(H,24,26).
What are the key properties of N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide?
N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide has a molecular weight of 361.57 g/mol, XLogP of 5.85, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylphenyl)ethyl]tetradecanamide is sourced from PubChem (CID 71449426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).