5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide

C12H13N3O3 — CID 61092833

IUPAC5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H13N3O3/c1-15(6-11(14)16)12(17)10-5-7-4-8(13)2-3-9(7)18-10/h2-5H,6,13H2,1H3,(H2,14,16)
InChIKeyFJYXNNNUNCDUPV-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.57
Rot. Bonds3

About 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide

5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 61092833) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID61092833
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C12H13N3O3/c1-15(6-11(14)16)12(17)10-5-7-4-8(13)2-3-9(7)18-10/h2-5H,6,13H2,1H3,(H2,14,16)
InChIKeyFJYXNNNUNCDUPV-UHFFFAOYSA-N
XLogP0.57
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.57
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-(furan-3-ylmethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61421765
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 82946153

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide (CID 61092833) is 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide is CN(CC(N)=O)C(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FJYXNNNUNCDUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15(6-11(14)16)12(17)10-5-7-4-8(13)2-3-9(7)18-10/h2-5H,6,13H2,1H3,(H2,14,16).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide?
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61092833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).