N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide

C15H16N2O — CID 90537865

IUPACN-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
SMILESC#CCCNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-4-9-16-15(18)10-12-11-17(2)14-8-6-5-7-13(12)14/h1,5-8,11H,4,9-10H2,2H3,(H,16,18)
InChIKeyUSRVHTCJTSQUFR-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.86
Rot. Bonds4

About N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide

N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide (PubChem CID 90537865) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
PubChem CID90537865
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
SMILESC#CCCNC(=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-4-9-16-15(18)10-12-11-17(2)14-8-6-5-7-13(12)14/h1,5-8,11H,4,9-10H2,2H3,(H,16,18)
InChIKeyUSRVHTCJTSQUFR-UHFFFAOYSA-N
XLogP1.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide
CID 107235569
2-(1-methylindol-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 47078967
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 71705470

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide (CID 90537865) is N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide is C#CCCNC(=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide?
The InChIKey is USRVHTCJTSQUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-4-9-16-15(18)10-12-11-17(2)14-8-6-5-7-13(12)14/h1,5-8,11H,4,9-10H2,2H3,(H,16,18).
What are the key properties of N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide?
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide has a molecular weight of 240.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 90537865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).