5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide

C12H21N3O3 — CID 63583745

IUPAC5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)o1)C(C)COC
InChIInChI=1S/C12H21N3O3/c1-4-15(9(2)8-17-3)7-10-5-6-11(18-10)12(16)14-13/h5-6,9H,4,7-8,13H2,1-3H3,(H,14,16)
InChIKeyDSKZMSINAKXYCK-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.74
Rot. Bonds7

About 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide

5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63583745) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
PubChem CID63583745
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)o1)C(C)COC
InChIInChI=1S/C12H21N3O3/c1-4-15(9(2)8-17-3)7-10-5-6-11(18-10)12(16)14-13/h5-6,9H,4,7-8,13H2,1-3H3,(H,14,16)
InChIKeyDSKZMSINAKXYCK-UHFFFAOYSA-N
XLogP0.74
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 55004839
N-ethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-1-methoxypropan-2-amine
CID 62427043
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
CID 55215009
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278
5-[(N-ethyl-4-methylanilino)methyl]furan-2-carbohydrazide
CID 63585831
5-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63577746
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
methyl 5-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]furan-2-carboxylate
CID 38561013
methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate
CID 103749450
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide (CID 63583745) is 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide is CCN(Cc1ccc(C(=O)NN)o1)C(C)COC.
What is the InChIKey of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is DSKZMSINAKXYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-15(9(2)8-17-3)7-10-5-6-11(18-10)12(16)14-13/h5-6,9H,4,7-8,13H2,1-3H3,(H,14,16).
What are the key properties of 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide?
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 255.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63583745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).