5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide

C13H23N3O3 — CID 55214616

IUPAC5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
SMILESCOCCN(Cc1ccc(C(=O)NN)o1)CC(C)C
InChIInChI=1S/C13H23N3O3/c1-10(2)8-16(6-7-18-3)9-11-4-5-12(19-11)13(17)15-14/h4-5,10H,6-9,14H2,1-3H3,(H,15,17)
InChIKeyRMWMZFONNYTAKF-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.99
Rot. Bonds8

About 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide

5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 55214616) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
PubChem CID55214616
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
SMILESCOCCN(Cc1ccc(C(=O)NN)o1)CC(C)C
InChIInChI=1S/C13H23N3O3/c1-10(2)8-16(6-7-18-3)9-11-4-5-12(19-11)13(17)15-14/h4-5,10H,6-9,14H2,1-3H3,(H,15,17)
InChIKeyRMWMZFONNYTAKF-UHFFFAOYSA-N
XLogP0.99
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.99
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'}

Analyze 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide with MolForge

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Related Compounds

5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 63583745
5-[[3-(dimethylamino)propyl-methylamino]methyl]furan-2-carbohydrazide
CID 63726556
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 55004839
2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
CID 105345830
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54986847
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55214617
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
CID 55215009
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62247011

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide (CID 55214616) is 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide is COCCN(Cc1ccc(C(=O)NN)o1)CC(C)C.
What is the InChIKey of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is RMWMZFONNYTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)8-16(6-7-18-3)9-11-4-5-12(19-11)13(17)15-14/h4-5,10H,6-9,14H2,1-3H3,(H,15,17).
What are the key properties of 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide?
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 269.34 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55214616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).