2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide

C27H29N3O2 — CID 118731512

IUPAC2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCNCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H29N3O2/c28-27(31)24-12-5-7-14-26(24)32-18-8-16-29-17-15-22-20-30(19-21-9-2-1-3-10-21)25-13-6-4-11-23(22)25/h1-7,9-14,20,29H,8,15-19H2,(H2,28,31)
InChIKeyAXEPKFMEASEADG-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.39
Rot. Bonds11

About 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide

2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide (PubChem CID 118731512) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide.

Molecular Properties

Compound Name2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide
PubChem CID118731512
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCNCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C27H29N3O2/c28-27(31)24-12-5-7-14-26(24)32-18-8-16-29-17-15-22-20-30(19-21-9-2-1-3-10-21)25-13-6-4-11-23(22)25/h1-7,9-14,20,29H,8,15-19H2,(H2,28,31)
InChIKeyAXEPKFMEASEADG-UHFFFAOYSA-N
XLogP4.39
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide?
The IUPAC name of 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide (CID 118731512) is 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide.
What is the SMILES notation for 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide?
The canonical SMILES for 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide is NC(=O)c1ccccc1OCCCNCCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide?
The InChIKey is AXEPKFMEASEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c28-27(31)24-12-5-7-14-26(24)32-18-8-16-29-17-15-22-20-30(19-21-9-2-1-3-10-21)25-13-6-4-11-23(22)25/h1-7,9-14,20,29H,8,15-19H2,(H2,28,31).
What are the key properties of 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide?
2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1-benzylindol-3-yl)ethylamino]propoxy]benzamide is sourced from PubChem (CID 118731512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).