3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide

C11H25N3O3 — CID 55213672

IUPAC3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
SMILESCOCCN(C(C)COC)C(C)CC(=O)NN
InChIInChI=1S/C11H25N3O3/c1-9(7-11(15)13-12)14(5-6-16-3)10(2)8-17-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyXNDSXSDNXQABER-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.26
Rot. Bonds9

About 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide

3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide (PubChem CID 55213672) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
PubChem CID55213672
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
SMILESCOCCN(C(C)COC)C(C)CC(=O)NN
InChIInChI=1S/C11H25N3O3/c1-9(7-11(15)13-12)14(5-6-16-3)10(2)8-17-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyXNDSXSDNXQABER-UHFFFAOYSA-N
XLogP-0.26
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
CID 63583760
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
2-[1-methoxypropan-2-yl(methyl)amino]acetohydrazide
CID 63585055
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methylbutanoic acid
CID 55004791
3-[2-methylpropyl(propan-2-yl)amino]butanehydrazide
CID 63579651
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
3-[bis(3-methylbutyl)amino]butanehydrazide
CID 114011284
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
6-[2-methoxyethyl(propan-2-yl)amino]hexanehydrazide
CID 82965230

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide?
The IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide (CID 55213672) is 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide.
What is the SMILES notation for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide?
The canonical SMILES for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide is COCCN(C(C)COC)C(C)CC(=O)NN.
What is the InChIKey of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide?
The InChIKey is XNDSXSDNXQABER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-9(7-11(15)13-12)14(5-6-16-3)10(2)8-17-4/h9-10H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide?
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide has a molecular weight of 247.34 g/mol, XLogP of -0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide is sourced from PubChem (CID 55213672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).