N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide

C22H26N2O — CID 3467177

IUPACN-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
InChIKeyHDOIPCLEKCEANF-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.61
Rot. Bonds8

About N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide

N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide (PubChem CID 3467177) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
PubChem CID3467177
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
InChIKeyHDOIPCLEKCEANF-UHFFFAOYSA-N
XLogP4.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide 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

(+)-Lysergic acid diethylamide
CID 5761
Carbazole
CID 6854
Panobinostat
CID 6918837
Indoramin
CID 33625
Frovatriptan
CID 77992
Tetrahydro-beta-carboline
CID 107838
Indole-3-acetamide
CID 397
LE-300
CID 4350931
2-Phenylindole
CID 13698
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
CID 638252

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide (CID 3467177) is N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide is CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide?
The InChIKey is HDOIPCLEKCEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide?
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide has a molecular weight of 334.46 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 3467177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).