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

C15H21N3O2 — CID 63574192

IUPAC3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESCCC(C)N(C)Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C15H21N3O2/c1-4-10(2)18(3)9-12-11-7-5-6-8-13(11)20-14(12)15(19)17-16/h5-8,10H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyMOXNELMPSNXTPH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.27
Rot. Bonds5

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

3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 63574192) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
PubChem CID63574192
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
SMILESCCC(C)N(C)Cc1c(C(=O)NN)oc2ccccc12
InChIInChI=1S/C15H21N3O2/c1-4-10(2)18(3)9-12-11-7-5-6-8-13(11)20-14(12)15(19)17-16/h5-8,10H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyMOXNELMPSNXTPH-UHFFFAOYSA-N
XLogP2.27
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.27
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'}

Analyze 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63959061
3-(butan-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63580272
3-[[methyl(pentan-2-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 43572303
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-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 166250211
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332

Frequently Asked Questions

What is the IUPAC name of 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide (CID 63574192) is 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide is CCC(C)N(C)Cc1c(C(=O)NN)oc2ccccc12.
What is the InChIKey of 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is MOXNELMPSNXTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-10(2)18(3)9-12-11-7-5-6-8-13(11)20-14(12)15(19)17-16/h5-8,10H,4,9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide?
3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 275.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 63574192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).