N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide

C23H28N2O2 — CID 43007542

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H28N2O2/c1-3-4-5-10-23(26)25-15-20(17-11-13-18(27-2)14-12-17)21-16-24-22-9-7-6-8-19(21)22/h6-9,11-14,16,20,24H,3-5,10,15H2,1-2H3,(H,25,26)
InChIKeyYWYBPDWAQZOYDV-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.00
Rot. Bonds9

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide (PubChem CID 43007542) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
PubChem CID43007542
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
SMILESCCCCCC(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H28N2O2/c1-3-4-5-10-23(26)25-15-20(17-11-13-18(27-2)14-12-17)21-16-24-22-9-7-6-8-19(21)22/h6-9,11-14,16,20,24H,3-5,10,15H2,1-2H3,(H,25,26)
InChIKeyYWYBPDWAQZOYDV-UHFFFAOYSA-N
XLogP5.00
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 25499108
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289695
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide (CID 43007542) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide is CCCCCC(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide?
The InChIKey is YWYBPDWAQZOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-4-5-10-23(26)25-15-20(17-11-13-18(27-2)14-12-17)21-16-24-22-9-7-6-8-19(21)22/h6-9,11-14,16,20,24H,3-5,10,15H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide has a molecular weight of 364.49 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide is sourced from PubChem (CID 43007542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).