N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

C16H20N2O — CID 11448238

IUPACN-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESC=CCCN(CCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C16H20N2O/c1-3-4-10-18(13(2)19)11-9-14-12-17-16-8-6-5-7-15(14)16/h3,5-8,12,17H,1,4,9-11H2,2H3
InChIKeyJWNWFTPWISLOQT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.13
Rot. Bonds6

About N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 11448238) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID11448238
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESC=CCCN(CCc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C16H20N2O/c1-3-4-10-18(13(2)19)11-9-14-12-17-16-8-6-5-7-15(14)16/h3,5-8,12,17H,1,4,9-11H2,2H3
InChIKeyJWNWFTPWISLOQT-UHFFFAOYSA-N
XLogP3.13
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
3-but-3-enyl-1H-indole
CID 57142098
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113056143
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 11448238) is N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is C=CCCN(CCc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is JWNWFTPWISLOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-4-10-18(13(2)19)11-9-14-12-17-16-8-6-5-7-15(14)16/h3,5-8,12,17H,1,4,9-11H2,2H3.
What are the key properties of N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 11448238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).