2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide

C20H36N4O10P2 — CID 156631192

IUPAC2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide
SMILESCCOP(=O)(CCOc1cc(C(=O)NN)c(OCCP(=O)(OCC)OCC)cc1C(=O)NN)OCC
InChIInChI=1S/C20H36N4O10P2/c1-5-31-35(27,32-6-2)11-9-29-17-13-16(20(26)24-22)18(14-15(17)19(25)23-21)30-10-12-36(28,33-7-3)34-8-4/h13-14H,5-12,21-22H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQUUUHUDOVVPMFJ-UHFFFAOYSA-N
MW554.47 g/mol
LogP2.18
Rot. Bonds18

About 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide

2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide (PubChem CID 156631192) has the molecular formula C20H36N4O10P2 and a molecular weight of 554.47 g/mol. Its IUPAC name is 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide
PubChem CID156631192
Molecular FormulaC20H36N4O10P2
Molecular Weight554.47 g/mol
Exact Mass554.19
IUPAC Name2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide
SMILESCCOP(=O)(CCOc1cc(C(=O)NN)c(OCCP(=O)(OCC)OCC)cc1C(=O)NN)OCC
InChIInChI=1S/C20H36N4O10P2/c1-5-31-35(27,32-6-2)11-9-29-17-13-16(20(26)24-22)18(14-15(17)19(25)23-21)30-10-12-36(28,33-7-3)34-8-4/h13-14H,5-12,21-22H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQUUUHUDOVVPMFJ-UHFFFAOYSA-N
XLogP2.18
TPSA199.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.47
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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'}

Analyze 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
CID 155712909
2-butoxy-5-chlorobenzohydrazide
CID 54795706
2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide
CID 176549580
2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide
CID 176549581
4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
CID 155213251
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
CID 71365690
ethyl 3-(3-diethoxyphosphorylpropanoyloxy)propanoate
CID 131843980
2-pentoxybenzohydrazide
CID 54793215
[4-(6-diethoxyphosphorylhexoxy)phenyl] acetate
CID 5271416
2-N-(2-diethoxyphosphorylethyl)benzene-1,2-diamine
CID 10730873

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide?
The IUPAC name of 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide (CID 156631192) is 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide?
The canonical SMILES for 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide is CCOP(=O)(CCOc1cc(C(=O)NN)c(OCCP(=O)(OCC)OCC)cc1C(=O)NN)OCC.
What is the InChIKey of 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide?
The InChIKey is QUUUHUDOVVPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O10P2/c1-5-31-35(27,32-6-2)11-9-29-17-13-16(20(26)24-22)18(14-15(17)19(25)23-21)30-10-12-36(28,33-7-3)34-8-4/h13-14H,5-12,21-22H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide?
2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide has a molecular weight of 554.47 g/mol, XLogP of 2.18, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 156631192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).