2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide

C14H14N2O2 — CID 115582181

IUPAC2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C14H14N2O2/c1-3-7-15-14(17)10-16-8-6-11-9-12(18-2)4-5-13(11)16/h1,4-6,8-9H,7,10H2,2H3,(H,15,17)
InChIKeySMCZUWFIPVZEOX-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.40
Rot. Bonds4

About 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide

2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide (PubChem CID 115582181) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
PubChem CID115582181
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C14H14N2O2/c1-3-7-15-14(17)10-16-8-6-11-9-12(18-2)4-5-13(11)16/h1,4-6,8-9H,7,10H2,2H3,(H,15,17)
InChIKeySMCZUWFIPVZEOX-UHFFFAOYSA-N
XLogP1.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212
5-methoxy-1-prop-2-ynylindole
CID 45091362
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methoxyindol-1-yl)acetamide
CID 111482762
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 99794235

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide (CID 115582181) is 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1ccc2cc(OC)ccc21.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is SMCZUWFIPVZEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-7-15-14(17)10-16-8-6-11-9-12(18-2)4-5-13(11)16/h1,4-6,8-9H,7,10H2,2H3,(H,15,17).
What are the key properties of 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide?
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 242.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 115582181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).