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

C16H21N3O2 — CID 63938947

IUPAC2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCCN(Cc1oc2ccccc2c1C(=O)NN)CC1CC1
InChIInChI=1S/C16H21N3O2/c1-2-19(9-11-7-8-11)10-14-15(16(20)18-17)12-5-3-4-6-13(12)21-14/h3-6,11H,2,7-10,17H2,1H3,(H,18,20)
InChIKeyFGOBNTNTEIUXOO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.27
Rot. Bonds6

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

2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63938947) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63938947
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCCN(Cc1oc2ccccc2c1C(=O)NN)CC1CC1
InChIInChI=1S/C16H21N3O2/c1-2-19(9-11-7-8-11)10-14-15(16(20)18-17)12-5-3-4-6-13(12)21-14/h3-6,11H,2,7-10,17H2,1H3,(H,18,20)
InChIKeyFGOBNTNTEIUXOO-UHFFFAOYSA-N
XLogP2.27
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide (CID 63938947) is 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide is CCN(Cc1oc2ccccc2c1C(=O)NN)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is FGOBNTNTEIUXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19(9-11-7-8-11)10-14-15(16(20)18-17)12-5-3-4-6-13(12)21-14/h3-6,11H,2,7-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 287.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(ethyl)amino]methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63938947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).