N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide

C14H18N2O2 — CID 2954226

IUPACN-(1-butyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCCCN1C(=O)C(NC(C)=O)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-4-9-16-12-8-6-5-7-11(12)13(14(16)18)15-10(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyQFVSBYNVUSUVQY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds4

About N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide

N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 2954226) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxo-3H-indol-3-yl)acetamide
PubChem CID2954226
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(1-butyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCCCN1C(=O)C(NC(C)=O)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-4-9-16-12-8-6-5-7-11(12)13(14(16)18)15-10(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyQFVSBYNVUSUVQY-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide (CID 2954226) is N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide is CCCCN1C(=O)C(NC(C)=O)c2ccccc21.
What is the InChIKey of N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is QFVSBYNVUSUVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-9-16-12-8-6-5-7-11(12)13(14(16)18)15-10(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide?
N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 2954226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).