N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide

C18H22N2O — CID 18273092

IUPACN-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide
SMILESC#CC(CC)(CC)NC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C18H22N2O/c1-4-18(5-2,6-3)19-17(21)12-14-20-13-11-15-9-7-8-10-16(15)20/h1,7-11,13H,5-6,12,14H2,2-3H3,(H,19,21)
InChIKeyAHWFBHJLQWWZIJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.34
Rot. Bonds6

About N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide

N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide (PubChem CID 18273092) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide
PubChem CID18273092
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide
SMILESC#CC(CC)(CC)NC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C18H22N2O/c1-4-18(5-2,6-3)19-17(21)12-14-20-13-11-15-9-7-8-10-16(15)20/h1,7-11,13H,5-6,12,14H2,2-3H3,(H,19,21)
InChIKeyAHWFBHJLQWWZIJ-UHFFFAOYSA-N
XLogP3.34
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide 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

2-(3-indol-1-ylpropanoylamino)-2-methylbutanoic acid
CID 119199226
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
CID 75386486
N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
CID 84554858
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide (CID 18273092) is N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide is C#CC(CC)(CC)NC(=O)CCn1ccc2ccccc21.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide?
The InChIKey is AHWFBHJLQWWZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-18(5-2,6-3)19-17(21)12-14-20-13-11-15-9-7-8-10-16(15)20/h1,7-11,13H,5-6,12,14H2,2-3H3,(H,19,21).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide?
N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 18273092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).