3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide

C17H22N2O — CID 95930494

IUPAC3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
SMILESC=CC[C@H](C)NC(=O)CCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C17H22N2O/c1-4-5-13(3)19-17(20)9-7-14-11-18-16-8-6-12(2)10-15(14)16/h4,6,8,10-11,13,18H,1,5,7,9H2,2-3H3,(H,19,20)/t13-/m0/s1
InChIKeyKIIFMJFDFAZERG-ZDUSSCGKSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide

3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide (PubChem CID 95930494) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
PubChem CID95930494
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
SMILESC=CC[C@H](C)NC(=O)CCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C17H22N2O/c1-4-5-13(3)19-17(20)9-7-14-11-18-16-8-6-12(2)10-15(14)16/h4,6,8,10-11,13,18H,1,5,7,9H2,2-3H3,(H,19,20)/t13-/m0/s1
InChIKeyKIIFMJFDFAZERG-ZDUSSCGKSA-N
XLogP3.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide 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

3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111536296
3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
CID 71925432
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124725974
N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111596973
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-(5-methyl-1H-indol-3-yl)propanamide
CID 126779213
methyl 2-methyl-5-[[3-(5-methyl-1H-indol-3-yl)propanoylamino]methyl]furan-3-carboxylate
CID 119042143
(E)-2-[3-(1H-indol-3-yl)propanoylamino]hex-4-enoic acid
CID 120692449

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
The IUPAC name of 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide (CID 95930494) is 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide.
What is the SMILES notation for 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
The canonical SMILES for 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide is C=CC[C@H](C)NC(=O)CCc1c[nH]c2ccc(C)cc12.
What is the InChIKey of 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
The InChIKey is KIIFMJFDFAZERG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-5-13(3)19-17(20)9-7-14-11-18-16-8-6-12(2)10-15(14)16/h4,6,8,10-11,13,18H,1,5,7,9H2,2-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide has a molecular weight of 270.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide is sourced from PubChem (CID 95930494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).