1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine

C28H26N2O2 — CID 126702635

IUPAC1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine
SMILESCCOc1ccc(N2/C(=N/c3ccc(OC)cc3)CC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H26N2O2/c1-3-32-26-16-12-24(13-17-26)30-27(22-9-8-20-6-4-5-7-21(20)18-22)19-28(30)29-23-10-14-25(31-2)15-11-23/h4-18,27H,3,19H2,1-2H3/b29-28+
InChIKeyJJCHEBXEPJZLGY-ZQHSETAFSA-N
MW422.53 g/mol
LogP6.93
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine

1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine (PubChem CID 126702635) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine
PubChem CID126702635
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine
SMILESCCOc1ccc(N2/C(=N/c3ccc(OC)cc3)CC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H26N2O2/c1-3-32-26-16-12-24(13-17-26)30-27(22-9-8-20-6-4-5-7-21(20)18-22)19-28(30)29-23-10-14-25(31-2)15-11-23/h4-18,27H,3,19H2,1-2H3/b29-28+
InChIKeyJJCHEBXEPJZLGY-ZQHSETAFSA-N
XLogP6.93
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine (CID 126702635) is 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine is CCOc1ccc(N2/C(=N/c3ccc(OC)cc3)CC2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
The InChIKey is JJCHEBXEPJZLGY-ZQHSETAFSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-3-32-26-16-12-24(13-17-26)30-27(22-9-8-20-6-4-5-7-21(20)18-22)19-28(30)29-23-10-14-25(31-2)15-11-23/h4-18,27H,3,19H2,1-2H3/b29-28+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine?
1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine has a molecular weight of 422.53 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-naphthalen-2-ylazetidin-2-imine is sourced from PubChem (CID 126702635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).