5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide

C15H17N3O3 — CID 63284227

IUPAC5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H17N3O3/c1-20-8-7-18(6-2-5-16)15(19)14-10-11-9-12(17)3-4-13(11)21-14/h3-4,9-10H,2,6-8,17H2,1H3
InChIKeyKRYSGZGJUMBUIO-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.02
Rot. Bonds6

About 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide

5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide (PubChem CID 63284227) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
PubChem CID63284227
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H17N3O3/c1-20-8-7-18(6-2-5-16)15(19)14-10-11-9-12(17)3-4-13(11)21-14/h3-4,9-10H,2,6-8,17H2,1H3
InChIKeyKRYSGZGJUMBUIO-UHFFFAOYSA-N
XLogP2.02
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420
5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 61127110
3-cyanopropyl 5-amino-1-benzofuran-2-carboxylate
CID 61321172
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 63237259
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63284940
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189822

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide (CID 63284227) is 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide is COCCN(CCC#N)C(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KRYSGZGJUMBUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-8-7-18(6-2-5-16)15(19)14-10-11-9-12(17)3-4-13(11)21-14/h3-4,9-10H,2,6-8,17H2,1H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63284227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).