5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide

C14H18N2O2 — CID 61094776

IUPAC5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-3-7-16(4-2)14(17)13-9-10-8-11(15)5-6-12(10)18-13/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeySOMOUBYFPTXHJZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds4

About 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide

5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 61094776) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
PubChem CID61094776
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-3-7-16(4-2)14(17)13-9-10-8-11(15)5-6-12(10)18-13/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeySOMOUBYFPTXHJZ-UHFFFAOYSA-N
XLogP2.89
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
CID 107477915
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61092833
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide (CID 61094776) is 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide is CCCN(CC)C(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is SOMOUBYFPTXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-7-16(4-2)14(17)13-9-10-8-11(15)5-6-12(10)18-13/h5-6,8-9H,3-4,7,15H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide?
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61094776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).