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

C16H26N4O6 — CID 176549581

IUPAC2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide
SMILESCOC(C)COc1cc(C(=O)NN)c(OCC(C)OC)cc1C(=O)NN
InChIInChI=1S/C16H26N4O6/c1-9(23-3)7-25-13-5-12(16(22)20-18)14(26-8-10(2)24-4)6-11(13)15(21)19-17/h5-6,9-10H,7-8,17-18H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyNJSYOPXZJGOGSB-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.28
Rot. Bonds10

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

2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide (PubChem CID 176549581) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide
PubChem CID176549581
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Name2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide
SMILESCOC(C)COc1cc(C(=O)NN)c(OCC(C)OC)cc1C(=O)NN
InChIInChI=1S/C16H26N4O6/c1-9(23-3)7-25-13-5-12(16(22)20-18)14(26-8-10(2)24-4)6-11(13)15(21)19-17/h5-6,9-10H,7-8,17-18H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyNJSYOPXZJGOGSB-UHFFFAOYSA-N
XLogP-0.28
TPSA147.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide
CID 176549580
2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
CID 155712909
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
2-(2-ethylsulfanylpropoxy)benzohydrazide
CID 162719393
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
2-(3-amino-1,2-dihydroxypropyl)-5-methoxybenzohydrazide
CID 170828917
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide?
The IUPAC name of 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide (CID 176549581) is 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide?
The canonical SMILES for 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide is COC(C)COc1cc(C(=O)NN)c(OCC(C)OC)cc1C(=O)NN.
What is the InChIKey of 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide?
The InChIKey is NJSYOPXZJGOGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-9(23-3)7-25-13-5-12(16(22)20-18)14(26-8-10(2)24-4)6-11(13)15(21)19-17/h5-6,9-10H,7-8,17-18H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide?
2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide has a molecular weight of 370.41 g/mol, XLogP of -0.28, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 176549581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).