N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide

C15H34N2O7P2 — CID 135009230

IUPACN'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide
SMILESCCOP(=O)(OCC)C(CC(C)(C)P(=O)(OCC)OCC)NNC(C)=O
InChIInChI=1S/C15H34N2O7P2/c1-8-21-25(19,22-9-2)14(17-16-13(5)18)12-15(6,7)26(20,23-10-3)24-11-4/h14,17H,8-12H2,1-7H3,(H,16,18)
InChIKeyGNYKFOFSZRVBAX-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.65
Rot. Bonds14

About N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide

N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide (PubChem CID 135009230) has the molecular formula C15H34N2O7P2 and a molecular weight of 416.39 g/mol. Its IUPAC name is N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide.

Molecular Properties

Compound NameN'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide
PubChem CID135009230
Molecular FormulaC15H34N2O7P2
Molecular Weight416.39 g/mol
Exact Mass416.18
IUPAC NameN'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide
SMILESCCOP(=O)(OCC)C(CC(C)(C)P(=O)(OCC)OCC)NNC(C)=O
InChIInChI=1S/C15H34N2O7P2/c1-8-21-25(19,22-9-2)14(17-16-13(5)18)12-15(6,7)26(20,23-10-3)24-11-4/h14,17H,8-12H2,1-7H3,(H,16,18)
InChIKeyGNYKFOFSZRVBAX-UHFFFAOYSA-N
XLogP3.65
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]-4-methylpiperazin-1-amine
CID 135009838
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
N-[(1S)-2,2,2-trichloro-1-diethoxyphosphorylethyl]acetamide
CID 2305152
2-diethoxyphosphoryl-2-methylpropan-1-amine
CID 58928684
N'-[1,3-bis(diethoxyphosphoryl)butyl]benzohydrazide
CID 135009826
methyl 2-acetamido-2-diethoxyphosphorylacetate
CID 19013464
N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
CID 102320660
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813
tert-butyl (2R)-2-amino-4,4-bis(diethoxyphosphoryl)-2-methylbutanoate
CID 135014585
[2-diethoxyphosphoryl-2-(ethoxycarbonylamino)ethyl] acetate
CID 12063673
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397

Frequently Asked Questions

What is the IUPAC name of N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide?
The IUPAC name of N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide (CID 135009230) is N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide.
What is the SMILES notation for N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide?
The canonical SMILES for N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide is CCOP(=O)(OCC)C(CC(C)(C)P(=O)(OCC)OCC)NNC(C)=O.
What is the InChIKey of N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide?
The InChIKey is GNYKFOFSZRVBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O7P2/c1-8-21-25(19,22-9-2)14(17-16-13(5)18)12-15(6,7)26(20,23-10-3)24-11-4/h14,17H,8-12H2,1-7H3,(H,16,18).
What are the key properties of N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide?
N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide has a molecular weight of 416.39 g/mol, XLogP of 3.65, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide is sourced from PubChem (CID 135009230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).