(E)-N-(2-indol-1-ylethyl)but-2-enamide

C14H16N2O — CID 108750473

IUPAC(E)-N-(2-indol-1-ylethyl)but-2-enamide
SMILESC/C=C/C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C14H16N2O/c1-2-5-14(17)15-9-11-16-10-8-12-6-3-4-7-13(12)16/h2-8,10H,9,11H2,1H3,(H,15,17)/b5-2+
InChIKeyNSCFNTAFFYOGLH-GORDUTHDSA-N
MW228.30 g/mol
LogP2.33
Rot. Bonds4

About (E)-N-(2-indol-1-ylethyl)but-2-enamide

(E)-N-(2-indol-1-ylethyl)but-2-enamide (PubChem CID 108750473) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (E)-N-(2-indol-1-ylethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-indol-1-ylethyl)but-2-enamide
PubChem CID108750473
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(E)-N-(2-indol-1-ylethyl)but-2-enamide
SMILESC/C=C/C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C14H16N2O/c1-2-5-14(17)15-9-11-16-10-8-12-6-3-4-7-13(12)16/h2-8,10H,9,11H2,1H3,(H,15,17)/b5-2+
InChIKeyNSCFNTAFFYOGLH-GORDUTHDSA-N
XLogP2.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750521
(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750525
1,1-diethyl-3-(2-indol-1-ylethyl)urea
CID 108726423
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-indol-1-ylethyl)acetamide
CID 108811505
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-indol-1-ylethyl)but-2-enamide?
The IUPAC name of (E)-N-(2-indol-1-ylethyl)but-2-enamide (CID 108750473) is (E)-N-(2-indol-1-ylethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-indol-1-ylethyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-indol-1-ylethyl)but-2-enamide is C/C=C/C(=O)NCCn1ccc2ccccc21.
What is the InChIKey of (E)-N-(2-indol-1-ylethyl)but-2-enamide?
The InChIKey is NSCFNTAFFYOGLH-GORDUTHDSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-5-14(17)15-9-11-16-10-8-12-6-3-4-7-13(12)16/h2-8,10H,9,11H2,1H3,(H,15,17)/b5-2+.
What are the key properties of (E)-N-(2-indol-1-ylethyl)but-2-enamide?
(E)-N-(2-indol-1-ylethyl)but-2-enamide has a molecular weight of 228.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-indol-1-ylethyl)but-2-enamide is sourced from PubChem (CID 108750473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).