N-benzyl-1-pentylindole-3-carboxamide

C21H24N2O — CID 2227769

IUPACN-benzyl-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O/c1-2-3-9-14-23-16-19(18-12-7-8-13-20(18)23)21(24)22-15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,22,24)
InChIKeyOLACYTSBFXCDOH-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.76
Rot. Bonds7

About N-benzyl-1-pentylindole-3-carboxamide

N-benzyl-1-pentylindole-3-carboxamide (PubChem CID 2227769) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-benzyl-1-pentylindole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-pentylindole-3-carboxamide
PubChem CID2227769
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-benzyl-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C21H24N2O/c1-2-3-9-14-23-16-19(18-12-7-8-13-20(18)23)21(24)22-15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,22,24)
InChIKeyOLACYTSBFXCDOH-UHFFFAOYSA-N
XLogP4.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-1-pentylindole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-pentylindole-3-carboxamide?
The IUPAC name of N-benzyl-1-pentylindole-3-carboxamide (CID 2227769) is N-benzyl-1-pentylindole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-pentylindole-3-carboxamide?
The canonical SMILES for N-benzyl-1-pentylindole-3-carboxamide is CCCCCn1cc(C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-1-pentylindole-3-carboxamide?
The InChIKey is OLACYTSBFXCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-3-9-14-23-16-19(18-12-7-8-13-20(18)23)21(24)22-15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-1-pentylindole-3-carboxamide?
N-benzyl-1-pentylindole-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-pentylindole-3-carboxamide is sourced from PubChem (CID 2227769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).