4-indol-1-yl-4-oxobutanamide

C12H12N2O2 — CID 84553197

IUPAC4-indol-1-yl-4-oxobutanamide
SMILESNC(=O)CCC(=O)n1ccc2ccccc21
InChIInChI=1S/C12H12N2O2/c13-11(15)5-6-12(16)14-8-7-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H2,13,15)
InChIKeyXDNJNSSHGGLYLH-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.55
Rot. Bonds3

About 4-indol-1-yl-4-oxobutanamide

4-indol-1-yl-4-oxobutanamide (PubChem CID 84553197) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-indol-1-yl-4-oxobutanamide.

Molecular Properties

Compound Name4-indol-1-yl-4-oxobutanamide
PubChem CID84553197
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-indol-1-yl-4-oxobutanamide
SMILESNC(=O)CCC(=O)n1ccc2ccccc21
InChIInChI=1S/C12H12N2O2/c13-11(15)5-6-12(16)14-8-7-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H2,13,15)
InChIKeyXDNJNSSHGGLYLH-UHFFFAOYSA-N
XLogP1.55
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
1-indol-1-yloctadecan-1-one
CID 58661273
1-indol-1-yl-2-phenylethanone
CID 118536016
4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
CID 84553199
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-indol-1-ylbutane-1,4-dione
CID 84553706
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
CID 84553059
methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
CID 84551886
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
2-[(4-indol-1-yl-4-oxobutanoyl)amino]pentanoic acid
CID 84556826
3-[3-(hydroxymethyl)-2-trimethylsilylcyclobuta-1,3-dien-1-yl]-1-indol-1-ylpropan-1-one
CID 134899912

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-4-oxobutanamide?
The IUPAC name of 4-indol-1-yl-4-oxobutanamide (CID 84553197) is 4-indol-1-yl-4-oxobutanamide.
What is the SMILES notation for 4-indol-1-yl-4-oxobutanamide?
The canonical SMILES for 4-indol-1-yl-4-oxobutanamide is NC(=O)CCC(=O)n1ccc2ccccc21.
What is the InChIKey of 4-indol-1-yl-4-oxobutanamide?
The InChIKey is XDNJNSSHGGLYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-11(15)5-6-12(16)14-8-7-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H2,13,15).
What are the key properties of 4-indol-1-yl-4-oxobutanamide?
4-indol-1-yl-4-oxobutanamide has a molecular weight of 216.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-4-oxobutanamide is sourced from PubChem (CID 84553197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).