4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide

C26H27N3O2 — CID 57405785

IUPAC4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C26H27N3O2/c1-29(17-19-5-3-2-4-6-19)18-20-7-9-21(10-8-20)26(31)27-14-13-22-16-28-25-12-11-23(30)15-24(22)25/h2-12,15-16,28,30H,13-14,17-18H2,1H3,(H,27,31)
InChIKeyOUYDBKLRMLMLMJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.48
Rot. Bonds8

About 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide

4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 57405785) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID57405785
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C26H27N3O2/c1-29(17-19-5-3-2-4-6-19)18-20-7-9-21(10-8-20)26(31)27-14-13-22-16-28-25-12-11-23(30)15-24(22)25/h2-12,15-16,28,30H,13-14,17-18H2,1H3,(H,27,31)
InChIKeyOUYDBKLRMLMLMJ-UHFFFAOYSA-N
XLogP4.48
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide (CID 57405785) is 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide is CN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is OUYDBKLRMLMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-29(17-19-5-3-2-4-6-19)18-20-7-9-21(10-8-20)26(31)27-14-13-22-16-28-25-12-11-23(30)15-24(22)25/h2-12,15-16,28,30H,13-14,17-18H2,1H3,(H,27,31).
What are the key properties of 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 57405785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).