6-cyclobutyloxyindole-1,3-dicarboxamide

C14H15N3O3 — CID 57078576

IUPAC6-cyclobutyloxyindole-1,3-dicarboxamide
SMILESNC(=O)c1cn(C(N)=O)c2cc(OC3CCC3)ccc12
InChIInChI=1S/C14H15N3O3/c15-13(18)11-7-17(14(16)19)12-6-9(4-5-10(11)12)20-8-2-1-3-8/h4-8H,1-3H2,(H2,15,18)(H2,16,19)
InChIKeyLKLQQSOHEYDHHD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.60
Rot. Bonds3

About 6-cyclobutyloxyindole-1,3-dicarboxamide

6-cyclobutyloxyindole-1,3-dicarboxamide (PubChem CID 57078576) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-cyclobutyloxyindole-1,3-dicarboxamide.

Molecular Properties

Compound Name6-cyclobutyloxyindole-1,3-dicarboxamide
PubChem CID57078576
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-cyclobutyloxyindole-1,3-dicarboxamide
SMILESNC(=O)c1cn(C(N)=O)c2cc(OC3CCC3)ccc12
InChIInChI=1S/C14H15N3O3/c15-13(18)11-7-17(14(16)19)12-6-9(4-5-10(11)12)20-8-2-1-3-8/h4-8H,1-3H2,(H2,15,18)(H2,16,19)
InChIKeyLKLQQSOHEYDHHD-UHFFFAOYSA-N
XLogP1.60
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxyindole-1,3-dicarboxamide?
The IUPAC name of 6-cyclobutyloxyindole-1,3-dicarboxamide (CID 57078576) is 6-cyclobutyloxyindole-1,3-dicarboxamide.
What is the SMILES notation for 6-cyclobutyloxyindole-1,3-dicarboxamide?
The canonical SMILES for 6-cyclobutyloxyindole-1,3-dicarboxamide is NC(=O)c1cn(C(N)=O)c2cc(OC3CCC3)ccc12.
What is the InChIKey of 6-cyclobutyloxyindole-1,3-dicarboxamide?
The InChIKey is LKLQQSOHEYDHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-13(18)11-7-17(14(16)19)12-6-9(4-5-10(11)12)20-8-2-1-3-8/h4-8H,1-3H2,(H2,15,18)(H2,16,19).
What are the key properties of 6-cyclobutyloxyindole-1,3-dicarboxamide?
6-cyclobutyloxyindole-1,3-dicarboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxyindole-1,3-dicarboxamide is sourced from PubChem (CID 57078576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).