N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide

C19H16N2O — CID 134217339

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-9,14,21H,12-13H2,(H,20,22)
InChIKeyVEQYFBCRVBDSOM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.88
Rot. Bonds3

About N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide

N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide (PubChem CID 134217339) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
PubChem CID134217339
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-9,14,21H,12-13H2,(H,20,22)
InChIKeyVEQYFBCRVBDSOM-UHFFFAOYSA-N
XLogP2.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.88
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

3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide
CID 68945617
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-yn-1-amine;hydrochloride
CID 2979186
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide (CID 134217339) is N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide?
The InChIKey is VEQYFBCRVBDSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-9,14,21H,12-13H2,(H,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide?
N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide has a molecular weight of 288.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 134217339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).