2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide

C15H22N4O2 — CID 63726386

IUPAC2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCN(C)CCN(C)Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C15H22N4O2/c1-18(2)8-9-19(3)10-13-14(15(20)17-16)11-6-4-5-7-12(11)21-13/h4-7H,8-10,16H2,1-3H3,(H,17,20)
InChIKeyGABCRAFSVBQGCY-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.03
Rot. Bonds6

About 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide

2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63726386) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63726386
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCN(C)CCN(C)Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C15H22N4O2/c1-18(2)8-9-19(3)10-13-14(15(20)17-16)11-6-4-5-7-12(11)21-13/h4-7H,8-10,16H2,1-3H3,(H,17,20)
InChIKeyGABCRAFSVBQGCY-UHFFFAOYSA-N
XLogP1.03
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(diethylamino)methyl]-N-hydroxy-1-benzofuran-6-carboxamide
CID 129283193
3-{[Bis(2-hydroxyethyl)amino]methyl}-1-benzofuran-2-carbohydrazide
CID 335497
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
1-Benzofuran-3-carbohydrazide
CID 64131186
[4-hydrazinocarbonyl-5-(N-morpholinomethyl)fur-2-yl]acetyl hydrazine
CID 129769204
N-((3-formylbenzofuran-2-yl)methyl)acetamide
CID 162368609
2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 62426194
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427198
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 62427519
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62428149
N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62428222
2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62428330

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide (CID 63726386) is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide is CN(C)CCN(C)Cc1oc2ccccc2c1C(=O)NN.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is GABCRAFSVBQGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)8-9-19(3)10-13-14(15(20)17-16)11-6-4-5-7-12(11)21-13/h4-7H,8-10,16H2,1-3H3,(H,17,20).
What are the key properties of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide?
2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 290.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63726386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).