3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide

C11H25N3O3 — CID 55212095

IUPAC3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide
SMILESCOCCCN(CCOC)C(C)CC(=O)NN
InChIInChI=1S/C11H25N3O3/c1-10(9-11(15)13-12)14(6-8-17-3)5-4-7-16-2/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyOWHLAIOLDBGCCQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.26
Rot. Bonds10

About 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide

3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide (PubChem CID 55212095) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide
PubChem CID55212095
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide
SMILESCOCCCN(CCOC)C(C)CC(=O)NN
InChIInChI=1S/C11H25N3O3/c1-10(9-11(15)13-12)14(6-8-17-3)5-4-7-16-2/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyOWHLAIOLDBGCCQ-UHFFFAOYSA-N
XLogP-0.26
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide?
The IUPAC name of 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide (CID 55212095) is 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide.
What is the SMILES notation for 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide?
The canonical SMILES for 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide is COCCCN(CCOC)C(C)CC(=O)NN.
What is the InChIKey of 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide?
The InChIKey is OWHLAIOLDBGCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-10(9-11(15)13-12)14(6-8-17-3)5-4-7-16-2/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide?
3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide has a molecular weight of 247.34 g/mol, XLogP of -0.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(3-methoxypropyl)amino]butanehydrazide is sourced from PubChem (CID 55212095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).