4-indol-1-yl-N-methyl-4-oxobutanamide

C13H14N2O2 — CID 84556822

IUPAC4-indol-1-yl-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)n1ccc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-14-12(16)6-7-13(17)15-9-8-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H,14,16)
InChIKeyKVVTWBUIYZCPKF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.81
Rot. Bonds3

About 4-indol-1-yl-N-methyl-4-oxobutanamide

4-indol-1-yl-N-methyl-4-oxobutanamide (PubChem CID 84556822) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-indol-1-yl-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-indol-1-yl-N-methyl-4-oxobutanamide
PubChem CID84556822
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-indol-1-yl-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)n1ccc2ccccc21
InChIInChI=1S/C13H14N2O2/c1-14-12(16)6-7-13(17)15-9-8-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H,14,16)
InChIKeyKVVTWBUIYZCPKF-UHFFFAOYSA-N
XLogP1.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
4-indol-1-yl-4-oxobutanamide
CID 84553197
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
2-[(4-indol-1-yl-4-oxobutanoyl)amino]pentanoic acid
CID 84556826
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
CID 84553059
1-indol-1-yloctadecan-1-one
CID 58661273
4-indol-1-yl-N-(3-methylsulfanylphenyl)-4-oxobutanamide
CID 84553091
4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
CID 84553199
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
4-indol-1-yl-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 84552848
methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
CID 84551886

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-N-methyl-4-oxobutanamide?
The IUPAC name of 4-indol-1-yl-N-methyl-4-oxobutanamide (CID 84556822) is 4-indol-1-yl-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-indol-1-yl-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-indol-1-yl-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)n1ccc2ccccc21.
What is the InChIKey of 4-indol-1-yl-N-methyl-4-oxobutanamide?
The InChIKey is KVVTWBUIYZCPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14-12(16)6-7-13(17)15-9-8-10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H,14,16).
What are the key properties of 4-indol-1-yl-N-methyl-4-oxobutanamide?
4-indol-1-yl-N-methyl-4-oxobutanamide has a molecular weight of 230.27 g/mol, XLogP of 1.81, 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-N-methyl-4-oxobutanamide is sourced from PubChem (CID 84556822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).