1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene

C25H31N3O3 — CID 20705841

IUPAC1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
SMILESCCN(C)NNC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H31N3O3/c1-6-28(2)27-26-25(19-7-13-22(29-3)14-8-19,20-9-15-23(30-4)16-10-20)21-11-17-24(31-5)18-12-21/h7-18,26-27H,6H2,1-5H3
InChIKeyFVSOJTJSUSLZCV-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.97
Rot. Bonds10

About 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene

1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene (PubChem CID 20705841) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
PubChem CID20705841
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
SMILESCCN(C)NNC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H31N3O3/c1-6-28(2)27-26-25(19-7-13-22(29-3)14-8-19,20-9-15-23(30-4)16-10-20)21-11-17-24(31-5)18-12-21/h7-18,26-27H,6H2,1-5H3
InChIKeyFVSOJTJSUSLZCV-UHFFFAOYSA-N
XLogP3.97
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene?
The IUPAC name of 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene (CID 20705841) is 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene is CCN(C)NNC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene?
The InChIKey is FVSOJTJSUSLZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-6-28(2)27-26-25(19-7-13-22(29-3)14-8-19,20-9-15-23(30-4)16-10-20)21-11-17-24(31-5)18-12-21/h7-18,26-27H,6H2,1-5H3.
What are the key properties of 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene?
1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene has a molecular weight of 421.54 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[ethyl(methyl)amino]hydrazinyl]-bis(4-methoxyphenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 20705841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).