N-[(2-hydroxyphenyl)methyl]octadecanamide

C25H43NO2 — CID 154122787

IUPACN-[(2-hydroxyphenyl)methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1O
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25(28)26-22-23-19-17-18-20-24(23)27/h17-20,27H,2-16,21-22H2,1H3,(H,26,28)
InChIKeyLGUTXPNNDGWCGH-UHFFFAOYSA-N
MW389.62 g/mol
LogP7.27
Rot. Bonds18

About N-[(2-hydroxyphenyl)methyl]octadecanamide

N-[(2-hydroxyphenyl)methyl]octadecanamide (PubChem CID 154122787) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]octadecanamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]octadecanamide
PubChem CID154122787
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC NameN-[(2-hydroxyphenyl)methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1O
InChIInChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25(28)26-22-23-19-17-18-20-24(23)27/h17-20,27H,2-16,21-22H2,1H3,(H,26,28)
InChIKeyLGUTXPNNDGWCGH-UHFFFAOYSA-N
XLogP7.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
N-benzylundecanamide
CID 5078198
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[2-(aminomethyl)phenyl]methyl]-6-hydroxyoctadecanamide
CID 101321543
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(2,4,5-trimethylphenyl)methyl]tetradecanamide
CID 4525427
6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
CID 101051335

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]octadecanamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]octadecanamide (CID 154122787) is N-[(2-hydroxyphenyl)methyl]octadecanamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]octadecanamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]octadecanamide?
The InChIKey is LGUTXPNNDGWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-25(28)26-22-23-19-17-18-20-24(23)27/h17-20,27H,2-16,21-22H2,1H3,(H,26,28).
What are the key properties of N-[(2-hydroxyphenyl)methyl]octadecanamide?
N-[(2-hydroxyphenyl)methyl]octadecanamide has a molecular weight of 389.62 g/mol, XLogP of 7.27, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]octadecanamide is sourced from PubChem (CID 154122787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).