2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane

C17H30N4O4 — CID 155712909

IUPAC2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
SMILESCCC.CCCOc1cc(C(=O)NN)c(OCCC)cc1C(=O)NN
InChIInChI=1S/C14H22N4O4.C3H8/c1-3-5-21-11-7-10(14(20)18-16)12(22-6-4-2)8-9(11)13(19)17-15;1-3-2/h7-8H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20);3H2,1-2H3
InChIKeyPHIPHJKIJWLSSW-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.89
Rot. Bonds8

About 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane

2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane (PubChem CID 155712909) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane.

Molecular Properties

Compound Name2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
PubChem CID155712909
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Name2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
SMILESCCC.CCCOc1cc(C(=O)NN)c(OCCC)cc1C(=O)NN
InChIInChI=1S/C14H22N4O4.C3H8/c1-3-5-21-11-7-10(14(20)18-16)12(22-6-4-2)8-9(11)13(19)17-15;1-3-2/h7-8H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20);3H2,1-2H3
InChIKeyPHIPHJKIJWLSSW-UHFFFAOYSA-N
XLogP1.89
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
CID 155213251
2,5-bis(2-diethoxyphosphorylethoxy)benzene-1,4-dicarbohydrazide
CID 156631192
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
2-pentoxybenzohydrazide
CID 54793215
methyl 5-bromo-2,4-dipropoxybenzoate
CID 82550686
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
2-bromo-4,5-dipropoxybenzamide
CID 82552405
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909
2,5-di(tridecoxy)benzene-1,4-dicarbonyl chloride
CID 101166018

Frequently Asked Questions

What is the IUPAC name of 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane?
The IUPAC name of 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane (CID 155712909) is 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane.
What is the SMILES notation for 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane?
The canonical SMILES for 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane is CCC.CCCOc1cc(C(=O)NN)c(OCCC)cc1C(=O)NN.
What is the InChIKey of 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane?
The InChIKey is PHIPHJKIJWLSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4.C3H8/c1-3-5-21-11-7-10(14(20)18-16)12(22-6-4-2)8-9(11)13(19)17-15;1-3-2/h7-8H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20);3H2,1-2H3.
What are the key properties of 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane?
2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane has a molecular weight of 354.45 g/mol, XLogP of 1.89, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane is sourced from PubChem (CID 155712909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).