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

C15H21N3O2 — CID 63571943

IUPAC2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCCN(Cc1oc2ccccc2c1C(=O)NN)C(C)C
InChIInChI=1S/C15H21N3O2/c1-4-18(10(2)3)9-13-14(15(19)17-16)11-7-5-6-8-12(11)20-13/h5-8,10H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyDHXWDUWQXCOOMS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.27
Rot. Bonds5

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

2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63571943) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63571943
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCCN(Cc1oc2ccccc2c1C(=O)NN)C(C)C
InChIInChI=1S/C15H21N3O2/c1-4-18(10(2)3)9-13-14(15(19)17-16)11-7-5-6-8-12(11)20-13/h5-8,10H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyDHXWDUWQXCOOMS-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'}

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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-methyl-N-(3-methylbenzofuran-2-ylmethyl)acrylamide
CID 57742103
(2-ethyl-1-benzofuran-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86802020
N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 95399009
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
1-Benzofuran-3-carbohydrazide
CID 64131186
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-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62426195
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62426439
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427198

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide (CID 63571943) is 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide is CCN(Cc1oc2ccccc2c1C(=O)NN)C(C)C.
What is the InChIKey of 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is DHXWDUWQXCOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18(10(2)3)9-13-14(15(19)17-16)11-7-5-6-8-12(11)20-13/h5-8,10H,4,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide?
2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-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 2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63571943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).