2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide

C18H29NO3 — CID 3065261

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-12-19-18(21)14-15-10-11-16(20)17(13-15)22-2/h10-11,13,20H,3-9,12,14H2,1-2H3,(H,19,21)
InChIKeyZJLSZFFLFLFHLB-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.81
Rot. Bonds11

About 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide

2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide (PubChem CID 3065261) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide
PubChem CID3065261
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-12-19-18(21)14-15-10-11-16(20)17(13-15)22-2/h10-11,13,20H,3-9,12,14H2,1-2H3,(H,19,21)
InChIKeyZJLSZFFLFLFHLB-UHFFFAOYSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.81
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 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide (CID 3065261) is 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide is CCCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide?
The InChIKey is ZJLSZFFLFLFHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-12-19-18(21)14-15-10-11-16(20)17(13-15)22-2/h10-11,13,20H,3-9,12,14H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide has a molecular weight of 307.43 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-nonylacetamide is sourced from PubChem (CID 3065261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).