4-diethoxyphosphorylbutanehydrazide

C8H19N2O4P — CID 156632548

IUPAC4-diethoxyphosphorylbutanehydrazide
SMILESCCOP(=O)(CCCC(=O)NN)OCC
InChIInChI=1S/C8H19N2O4P/c1-3-13-15(12,14-4-2)7-5-6-8(11)10-9/h3-7,9H2,1-2H3,(H,10,11)
InChIKeyPFNHMMCWLSEGEW-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.02
Rot. Bonds8

About 4-diethoxyphosphorylbutanehydrazide

4-diethoxyphosphorylbutanehydrazide (PubChem CID 156632548) has the molecular formula C8H19N2O4P and a molecular weight of 238.22 g/mol. Its IUPAC name is 4-diethoxyphosphorylbutanehydrazide.

Molecular Properties

Compound Name4-diethoxyphosphorylbutanehydrazide
PubChem CID156632548
Molecular FormulaC8H19N2O4P
Molecular Weight238.22 g/mol
Exact Mass238.11
IUPAC Name4-diethoxyphosphorylbutanehydrazide
SMILESCCOP(=O)(CCCC(=O)NN)OCC
InChIInChI=1S/C8H19N2O4P/c1-3-13-15(12,14-4-2)7-5-6-8(11)10-9/h3-7,9H2,1-2H3,(H,10,11)
InChIKeyPFNHMMCWLSEGEW-UHFFFAOYSA-N
XLogP1.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.02
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
butyl 4-diethoxyphosphorylbutanoate
CID 90341403
6-diethoxyphosphorylhexan-3-one
CID 91326618
N-(2-diethoxyphosphorylethyl)pentanamide
CID 150373666
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
ethyl 3-(3-diethoxyphosphorylpropanoyloxy)propanoate
CID 131843980
8-diethoxyphosphoryloctan-1-ol
CID 10515886

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphorylbutanehydrazide?
The IUPAC name of 4-diethoxyphosphorylbutanehydrazide (CID 156632548) is 4-diethoxyphosphorylbutanehydrazide.
What is the SMILES notation for 4-diethoxyphosphorylbutanehydrazide?
The canonical SMILES for 4-diethoxyphosphorylbutanehydrazide is CCOP(=O)(CCCC(=O)NN)OCC.
What is the InChIKey of 4-diethoxyphosphorylbutanehydrazide?
The InChIKey is PFNHMMCWLSEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O4P/c1-3-13-15(12,14-4-2)7-5-6-8(11)10-9/h3-7,9H2,1-2H3,(H,10,11).
What are the key properties of 4-diethoxyphosphorylbutanehydrazide?
4-diethoxyphosphorylbutanehydrazide has a molecular weight of 238.22 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphorylbutanehydrazide is sourced from PubChem (CID 156632548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).