3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide

C20H18N2O — CID 68942700

IUPAC3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
SMILESCc1ccc(CCNC(=O)C#Cc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H18N2O/c1-15-2-4-16(5-3-15)10-12-22-20(23)9-7-17-6-8-19-18(14-17)11-13-21-19/h2-6,8,11,13-14,21H,10,12H2,1H3,(H,22,23)
InChIKeyUYTFJPHTVRQPJZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.19
Rot. Bonds3

About 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide

3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide (PubChem CID 68942700) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
PubChem CID68942700
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
SMILESCc1ccc(CCNC(=O)C#Cc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C20H18N2O/c1-15-2-4-16(5-3-15)10-12-22-20(23)9-7-17-6-8-19-18(14-17)11-13-21-19/h2-6,8,11,13-14,21H,10,12H2,1H3,(H,22,23)
InChIKeyUYTFJPHTVRQPJZ-UHFFFAOYSA-N
XLogP3.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide
CID 68944263
3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
CID 68945842
3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944668
N-[2-(1H-indol-6-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 84582546
3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446
ethyl 4-(1H-indol-5-yl)but-3-ynoate
CID 170471402
5-but-1-ynyl-1H-indole
CID 174890563
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
CID 68947547
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
3-(4-tert-butylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944903

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
The IUPAC name of 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide (CID 68942700) is 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide.
What is the SMILES notation for 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
The canonical SMILES for 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide is Cc1ccc(CCNC(=O)C#Cc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
The InChIKey is UYTFJPHTVRQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-2-4-16(5-3-15)10-12-22-20(23)9-7-17-6-8-19-18(14-17)11-13-21-19/h2-6,8,11,13-14,21H,10,12H2,1H3,(H,22,23).
What are the key properties of 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide has a molecular weight of 302.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide is sourced from PubChem (CID 68942700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).