N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide

C14H14N2O — CID 114389821

IUPACN-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
SMILESC#CC(C)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O/c1-3-10(2)16-14(17)8-11-9-15-13-7-5-4-6-12(11)13/h1,4-7,9-10,15H,8H2,2H3,(H,16,17)
InChIKeyXYMRYYDWAKJHFD-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.85
Rot. Bonds3

About N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide

N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide (PubChem CID 114389821) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
PubChem CID114389821
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
SMILESC#CC(C)NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O/c1-3-10(2)16-14(17)8-11-9-15-13-7-5-4-6-12(11)13/h1,4-7,9-10,15H,8H2,2H3,(H,16,17)
InChIKeyXYMRYYDWAKJHFD-UHFFFAOYSA-N
XLogP1.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.85
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-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115667804
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
1-(1H-indol-3-yl)but-3-yn-2-one
CID 175799304
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 65190802

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide (CID 114389821) is N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide is C#CC(C)NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide?
The InChIKey is XYMRYYDWAKJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-10(2)16-14(17)8-11-9-15-13-7-5-4-6-12(11)13/h1,4-7,9-10,15H,8H2,2H3,(H,16,17).
What are the key properties of N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide?
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide has a molecular weight of 226.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 114389821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).