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

C15H20N2O2 — CID 61089879

IUPAC5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-3-5-8-17(4-2)15(18)14-10-11-9-12(16)6-7-13(11)19-14/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyCDPWJQOHZRRMBR-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.28
Rot. Bonds5

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

5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide (PubChem CID 61089879) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
PubChem CID61089879
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-3-5-8-17(4-2)15(18)14-10-11-9-12(16)6-7-13(11)19-14/h6-7,9-10H,3-5,8,16H2,1-2H3
InChIKeyCDPWJQOHZRRMBR-UHFFFAOYSA-N
XLogP3.28
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
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-octyl-1-benzofuran-2-carboxamide
CID 115565943
N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 145462524
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
CID 107477915
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61092833
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide (CID 61089879) is 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide is CCCCN(CC)C(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide?
The InChIKey is CDPWJQOHZRRMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-5-8-17(4-2)15(18)14-10-11-9-12(16)6-7-13(11)19-14/h6-7,9-10H,3-5,8,16H2,1-2H3.
What are the key properties of 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide?
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61089879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).