2-(1-methylindol-3-yl)-N-propylpent-2-enamide

C17H22N2O — CID 140983221

IUPAC2-(1-methylindol-3-yl)-N-propylpent-2-enamide
SMILESCCC=C(C(=O)NCCC)c1cn(C)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-4-8-14(17(20)18-11-5-2)15-12-19(3)16-10-7-6-9-13(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyYBHZQTBJTHVDPD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds5

About 2-(1-methylindol-3-yl)-N-propylpent-2-enamide

2-(1-methylindol-3-yl)-N-propylpent-2-enamide (PubChem CID 140983221) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-propylpent-2-enamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-propylpent-2-enamide
PubChem CID140983221
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1-methylindol-3-yl)-N-propylpent-2-enamide
SMILESCCC=C(C(=O)NCCC)c1cn(C)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-4-8-14(17(20)18-11-5-2)15-12-19(3)16-10-7-6-9-13(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyYBHZQTBJTHVDPD-UHFFFAOYSA-N
XLogP3.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(1-methylindol-3-yl)-N-propylpent-2-enamide 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-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654
N-butyl-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 44596466
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
1-methylindole-3-carbothioic S-acid
CID 116918837
tert-butyl acetate;3-[(E)-hept-3-en-4-yl]-1-methylindole
CID 142001419
1-[(1-methylindole-3-carbonyl)amino]-3-pentylthiourea
CID 9187866
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-propylpent-2-enamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-propylpent-2-enamide (CID 140983221) is 2-(1-methylindol-3-yl)-N-propylpent-2-enamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-propylpent-2-enamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-propylpent-2-enamide is CCC=C(C(=O)NCCC)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-propylpent-2-enamide?
The InChIKey is YBHZQTBJTHVDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-8-14(17(20)18-11-5-2)15-12-19(3)16-10-7-6-9-13(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,20).
What are the key properties of 2-(1-methylindol-3-yl)-N-propylpent-2-enamide?
2-(1-methylindol-3-yl)-N-propylpent-2-enamide has a molecular weight of 270.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-propylpent-2-enamide is sourced from PubChem (CID 140983221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).