N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide

C23H28N2O2 — CID 24749373

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide
SMILESCCCCCc1cccc(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-6-17-7-5-8-18(13-17)14-23(27)24-12-11-19-16-25-22-10-9-20(26)15-21(19)22/h5,7-10,13,15-16,25-26H,2-4,6,11-12,14H2,1H3,(H,24,27)
InChIKeyQHOQQQALRIPHRY-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.51
Rot. Bonds9

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide (PubChem CID 24749373) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide
PubChem CID24749373
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide
SMILESCCCCCc1cccc(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-6-17-7-5-8-18(13-17)14-23(27)24-12-11-19-16-25-22-10-9-20(26)15-21(19)22/h5,7-10,13,15-16,25-26H,2-4,6,11-12,14H2,1H3,(H,24,27)
InChIKeyQHOQQQALRIPHRY-UHFFFAOYSA-N
XLogP4.51
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide (CID 24749373) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide is CCCCCc1cccc(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c1.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide?
The InChIKey is QHOQQQALRIPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-3-4-6-17-7-5-8-18(13-17)14-23(27)24-12-11-19-16-25-22-10-9-20(26)15-21(19)22/h5,7-10,13,15-16,25-26H,2-4,6,11-12,14H2,1H3,(H,24,27).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(3-pentylphenyl)acetamide is sourced from PubChem (CID 24749373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).