N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane

C18H26N2O — CID 143542035

IUPACN-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
SMILESCC.CC.CC#CCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O.2C2H6/c1-2-3-8-15-14(17)9-11-10-16-13-7-5-4-6-12(11)13;2*1-2/h4-7,10,16H,8-9H2,1H3,(H,15,17);2*1-2H3
InChIKeyPFNFROAFQJLTGW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.90
Rot. Bonds3

About N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane

N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane (PubChem CID 143542035) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane.

Molecular Properties

Compound NameN-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
PubChem CID143542035
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
SMILESCC.CC.CC#CCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O.2C2H6/c1-2-3-8-15-14(17)9-11-10-16-13-7-5-4-6-12(11)13;2*1-2/h4-7,10,16H,8-9H2,1H3,(H,15,17);2*1-2H3
InChIKeyPFNFROAFQJLTGW-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.90
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-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
CID 58790355
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane?
The IUPAC name of N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane (CID 143542035) is N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane.
What is the SMILES notation for N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane?
The canonical SMILES for N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane is CC.CC.CC#CCNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane?
The InChIKey is PFNFROAFQJLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.2C2H6/c1-2-3-8-15-14(17)9-11-10-16-13-7-5-4-6-12(11)13;2*1-2/h4-7,10,16H,8-9H2,1H3,(H,15,17);2*1-2H3.
What are the key properties of N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane?
N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane has a molecular weight of 286.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane is sourced from PubChem (CID 143542035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).