5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide

C15H19N3O3 — CID 126841948

IUPAC5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCNC(=O)NC)c2c1
InChIInChI=1S/C15H19N3O3/c1-3-10-4-5-13-11(8-10)12(9-21-13)14(19)17-6-7-18-15(20)16-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyFAAOHIHUFXAUCP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.65
Rot. Bonds5

About 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide

5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide (PubChem CID 126841948) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
PubChem CID126841948
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCNC(=O)NC)c2c1
InChIInChI=1S/C15H19N3O3/c1-3-10-4-5-13-11(8-10)12(9-21-13)14(19)17-6-7-18-15(20)16-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyFAAOHIHUFXAUCP-UHFFFAOYSA-N
XLogP1.65
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide (CID 126841948) is 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)NCCNC(=O)NC)c2c1.
What is the InChIKey of 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide?
The InChIKey is FAAOHIHUFXAUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-10-4-5-13-11(8-10)12(9-21-13)14(19)17-6-7-18-15(20)16-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide?
5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126841948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).