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

C18H30N4O6 — CID 176549580

IUPAC2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide
SMILESCCC(COc1cc(C(=O)NN)c(OCC(CC)OC)cc1C(=O)NN)OC
InChIInChI=1S/C18H30N4O6/c1-5-11(25-3)9-27-15-7-14(18(24)22-20)16(8-13(15)17(23)21-19)28-10-12(6-2)26-4/h7-8,11-12H,5-6,9-10,19-20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKRMZEJOFFOXXQQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.50
Rot. Bonds12

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

2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide (PubChem CID 176549580) has the molecular formula C18H30N4O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide
PubChem CID176549580
Molecular FormulaC18H30N4O6
Molecular Weight398.46 g/mol
Exact Mass398.22
IUPAC Name2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide
SMILESCCC(COc1cc(C(=O)NN)c(OCC(CC)OC)cc1C(=O)NN)OC
InChIInChI=1S/C18H30N4O6/c1-5-11(25-3)9-27-15-7-14(18(24)22-20)16(8-13(15)17(23)21-19)28-10-12(6-2)26-4/h7-8,11-12H,5-6,9-10,19-20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKRMZEJOFFOXXQQ-UHFFFAOYSA-N
XLogP0.50
TPSA147.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.50
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-methoxypropoxy)benzene-1,4-dicarbohydrazide
CID 176549581
2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
CID 155712909
2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide
CID 156631192
2-butoxy-5-chlorobenzohydrazide
CID 54795706
2-(2-ethylsulfanylpropoxy)benzohydrazide
CID 162719393
2-(2-methoxybutoxy)ethyl methyl carbonate
CID 87247552
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
CID 155213251
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
N-ethoxy-2,4,5-trimethoxybenzamide
CID 46536432
2-methoxybenzohydrazide
CID 24051
2-[(2S)-2-hydroxybutoxy]-5-methoxybenzamide
CID 129393105

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide?
The IUPAC name of 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide (CID 176549580) is 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide?
The canonical SMILES for 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide is CCC(COc1cc(C(=O)NN)c(OCC(CC)OC)cc1C(=O)NN)OC.
What is the InChIKey of 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide?
The InChIKey is KRMZEJOFFOXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O6/c1-5-11(25-3)9-27-15-7-14(18(24)22-20)16(8-13(15)17(23)21-19)28-10-12(6-2)26-4/h7-8,11-12H,5-6,9-10,19-20H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide?
2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide has a molecular weight of 398.46 g/mol, XLogP of 0.50, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methoxybutoxy)benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 176549580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).