2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide

C18H19N3O3 — CID 141106606

IUPAC2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide
SMILESCCN(CC)C(=O)Nc1ccc2oc3ccccc3c2c1C(N)=O
InChIInChI=1S/C18H19N3O3/c1-3-21(4-2)18(23)20-12-9-10-14-15(16(12)17(19)22)11-7-5-6-8-13(11)24-14/h5-10H,3-4H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyIHLXICWWECGAHS-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.56
Rot. Bonds4

About 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide

2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide (PubChem CID 141106606) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide.

Molecular Properties

Compound Name2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide
PubChem CID141106606
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide
SMILESCCN(CC)C(=O)Nc1ccc2oc3ccccc3c2c1C(N)=O
InChIInChI=1S/C18H19N3O3/c1-3-21(4-2)18(23)20-12-9-10-14-15(16(12)17(19)22)11-7-5-6-8-13(11)24-14/h5-10H,3-4H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyIHLXICWWECGAHS-UHFFFAOYSA-N
XLogP3.56
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide?
The IUPAC name of 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide (CID 141106606) is 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide.
What is the SMILES notation for 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide?
The canonical SMILES for 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide is CCN(CC)C(=O)Nc1ccc2oc3ccccc3c2c1C(N)=O.
What is the InChIKey of 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide?
The InChIKey is IHLXICWWECGAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-21(4-2)18(23)20-12-9-10-14-15(16(12)17(19)22)11-7-5-6-8-13(11)24-14/h5-10H,3-4H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide?
2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamoylamino)dibenzofuran-1-carboxamide is sourced from PubChem (CID 141106606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).