3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide

C16H23N3O2 — CID 63959061

IUPAC3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESCCC(C)(C)N(C)Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C16H23N3O2/c1-5-16(2,3)19(4)10-12-11-8-6-7-9-13(11)21-14(12)15(20)18-17/h6-9H,5,10,17H2,1-4H3,(H,18,20)
InChIKeyXGBFJQLWTGTHLH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.66
Rot. Bonds5

About 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide

3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 63959061) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
PubChem CID63959061
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESCCC(C)(C)N(C)Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C16H23N3O2/c1-5-16(2,3)19(4)10-12-11-8-6-7-9-13(11)21-14(12)15(20)18-17/h6-9H,5,10,17H2,1-4H3,(H,18,20)
InChIKeyXGBFJQLWTGTHLH-UHFFFAOYSA-N
XLogP2.66
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63574192
3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63571784
3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 82735781
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
CID 63964995
3-(butan-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63580272
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351975
3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 71990798
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120605130

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide (CID 63959061) is 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide is CCC(C)(C)N(C)Cc1c(C(=O)NN)oc2ccccc12.
What is the InChIKey of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is XGBFJQLWTGTHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-16(2,3)19(4)10-12-11-8-6-7-9-13(11)21-14(12)15(20)18-17/h6-9H,5,10,17H2,1-4H3,(H,18,20).
What are the key properties of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide?
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 289.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 63959061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).