N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide

C19H31NO3 — CID 3084336

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide
SMILESCOc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O
InChIInChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)
InChIKeyAKDLSISGGARWFP-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.40
Rot. Bonds11

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide (PubChem CID 3084336) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide
PubChem CID3084336
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide
SMILESCOc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O
InChIInChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)
InChIKeyAKDLSISGGARWFP-UHFFFAOYSA-N
XLogP4.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide (CID 3084336) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide is COc1cc(CNC(=O)CCCCCCCC(C)C)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide?
The InChIKey is AKDLSISGGARWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldecanamide has a molecular weight of 321.46 g/mol, XLogP of 4.40, 11 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]-9-methyldecanamide is sourced from PubChem (CID 3084336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).