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

C17H27NO3 — CID 3041745

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-7-8-11-18-17(20)13-14-9-10-15(19)16(12-14)21-2/h9-10,12,19H,3-8,11,13H2,1-2H3,(H,18,20)
InChIKeyRRCXCIBDXPXSRA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.42
Rot. Bonds10

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

2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide (PubChem CID 3041745) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide
PubChem CID3041745
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-3-4-5-6-7-8-11-18-17(20)13-14-9-10-15(19)16(12-14)21-2/h9-10,12,19H,3-8,11,13H2,1-2H3,(H,18,20)
InChIKeyRRCXCIBDXPXSRA-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.42
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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Related Compounds

CID 1548943
CID 1548943
CID 1548942
CID 1548942
CID 5311093
CID 5311093
CID 107982
CID 107982
CID 2998
CID 2998
CID 9363
CID 9363
CID 6449767
CID 6449767
CID 168836
CID 168836
CID 5280537
CID 5280537
CID 5282106
CID 5282106
CID 5282105
CID 5282105
CID 80465
CID 80465

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide (CID 3041745) is 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide is CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide?
The InChIKey is RRCXCIBDXPXSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-11-18-17(20)13-14-9-10-15(19)16(12-14)21-2/h9-10,12,19H,3-8,11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-octylacetamide has a molecular weight of 293.41 g/mol, XLogP of 3.42, 10 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-octylacetamide is sourced from PubChem (CID 3041745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).