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

C15H21N3O2 — CID 63574025

IUPAC2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCC(C)CN(C)Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C15H21N3O2/c1-10(2)8-18(3)9-13-14(15(19)17-16)11-6-4-5-7-12(11)20-13/h4-7,10H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyCSDFTQQHLOERQD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.12
Rot. Bonds5

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

2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63574025) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63574025
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCC(C)CN(C)Cc1oc2ccccc2c1C(=O)NN
InChIInChI=1S/C15H21N3O2/c1-10(2)8-18(3)9-13-14(15(19)17-16)11-6-4-5-7-12(11)20-13/h4-7,10H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyCSDFTQQHLOERQD-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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

2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-benzofuran-3-carbohydrazide
CID 63726386
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63572591
2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63571943
2-[(dipropylamino)methyl]-1-benzofuran-3-carbohydrazide
CID 63569026
2-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63572917
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865
2-(3-hydroxybutan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 107772111
2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63938947
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422585
2-[[2-methoxyethyl(methyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62273605
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide (CID 63574025) is 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide is CC(C)CN(C)Cc1oc2ccccc2c1C(=O)NN.
What is the InChIKey of 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is CSDFTQQHLOERQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)8-18(3)9-13-14(15(19)17-16)11-6-4-5-7-12(11)20-13/h4-7,10H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 275.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63574025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).