5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide

C14H17N3O3 — CID 61094259

IUPAC5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H17N3O3/c1-3-17(8-13(18)16-2)14(19)12-7-9-6-10(15)4-5-11(9)20-12/h4-7H,3,8,15H2,1-2H3,(H,16,18)
InChIKeyWBZJSVUUWSNGMJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.22
Rot. Bonds4

About 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide

5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide (PubChem CID 61094259) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
PubChem CID61094259
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H17N3O3/c1-3-17(8-13(18)16-2)14(19)12-7-9-6-10(15)4-5-11(9)20-12/h4-7H,3,8,15H2,1-2H3,(H,16,18)
InChIKeyWBZJSVUUWSNGMJ-UHFFFAOYSA-N
XLogP1.22
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 2552428
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61092833
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 61037410
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107074115
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide (CID 61094259) is 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide is CCN(CC(=O)NC)C(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The InChIKey is WBZJSVUUWSNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-17(8-13(18)16-2)14(19)12-7-9-6-10(15)4-5-11(9)20-12/h4-7H,3,8,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61094259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).