N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide

C13H26N2O5 — CID 89157114

IUPACN'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)CCOCCOCCOCC
InChIInChI=1S/C13H26N2O5/c1-3-5-12(16)14-15-13(17)6-7-19-10-11-20-9-8-18-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRBVASZVFGBDFGX-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.39
Rot. Bonds12

About N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide

N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide (PubChem CID 89157114) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide.

Molecular Properties

Compound NameN'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide
PubChem CID89157114
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC NameN'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide
SMILESCCCC(=O)NNC(=O)CCOCCOCCOCC
InChIInChI=1S/C13H26N2O5/c1-3-5-12(16)14-15-13(17)6-7-19-10-11-20-9-8-18-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRBVASZVFGBDFGX-UHFFFAOYSA-N
XLogP0.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-ethylpropanamide
CID 58030283
N'-(2-cyclopentylacetyl)-3-ethoxypropanehydrazide
CID 54786394
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
N'-[2-(4-bromophenoxy)acetyl]-3-ethoxypropanehydrazide
CID 17357887
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
CID 17139798
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide?
The IUPAC name of N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide (CID 89157114) is N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide.
What is the SMILES notation for N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide?
The canonical SMILES for N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide is CCCC(=O)NNC(=O)CCOCCOCCOCC.
What is the InChIKey of N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide?
The InChIKey is RBVASZVFGBDFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-3-5-12(16)14-15-13(17)6-7-19-10-11-20-9-8-18-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide?
N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide has a molecular weight of 290.36 g/mol, XLogP of 0.39, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(2-ethoxyethoxy)ethoxy]propanoyl]butanehydrazide is sourced from PubChem (CID 89157114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).