2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide

C29H48N2O3 — CID 70960358

IUPAC2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCCNC(=O)COc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C29H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-29(33)24-34-28-23-31-27-20-19-25(32)22-26(27)28/h19-20,22-23,31-32H,2-18,21,24H2,1H3,(H,30,33)
InChIKeyLOHSUOBBRAAOQC-UHFFFAOYSA-N
MW472.71 g/mol
LogP8.02
Rot. Bonds21

About 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide

2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide (PubChem CID 70960358) has the molecular formula C29H48N2O3 and a molecular weight of 472.71 g/mol. Its IUPAC name is 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide
PubChem CID70960358
Molecular FormulaC29H48N2O3
Molecular Weight472.71 g/mol
Exact Mass472.37
IUPAC Name2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCCNC(=O)COc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C29H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-29(33)24-34-28-23-31-27-20-19-25(32)22-26(27)28/h19-20,22-23,31-32H,2-18,21,24H2,1H3,(H,30,33)
InChIKeyLOHSUOBBRAAOQC-UHFFFAOYSA-N
XLogP8.02
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.71
LogP ≤ 58.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
(6Z,9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-6,9,12-trienamide
CID 24749163
(5E,8E,11E,14E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide
CID 14420957
(9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
CID 24749267
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosanamide;icosanoic acid;hydroiodide
CID 160522251
2-(4-bromo-2,5-dimethylphenoxy)-N-heptylacetamide
CID 3901238

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide?
The IUPAC name of 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide (CID 70960358) is 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide.
What is the SMILES notation for 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide?
The canonical SMILES for 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide is CCCCCCCCCCCCCCCCCCCNC(=O)COc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide?
The InChIKey is LOHSUOBBRAAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-29(33)24-34-28-23-31-27-20-19-25(32)22-26(27)28/h19-20,22-23,31-32H,2-18,21,24H2,1H3,(H,30,33).
What are the key properties of 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide?
2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide has a molecular weight of 472.71 g/mol, XLogP of 8.02, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-1H-indol-3-yl)oxy]-N-nonadecylacetamide is sourced from PubChem (CID 70960358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).