N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide

C16H25NO3 — CID 5316427

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKeyJYZDUDMWJFJCON-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.38
Rot. Bonds9

About N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide (PubChem CID 5316427) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide
PubChem CID5316427
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKeyJYZDUDMWJFJCON-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide (CID 5316427) is N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide is CCCCCCCC(=O)NCc1ccc(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide?
The InChIKey is JYZDUDMWJFJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide has a molecular weight of 279.38 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide is sourced from PubChem (CID 5316427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).