(E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine

C21H21NO4 — CID 44580179

IUPAC(E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCO/N=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO4/c1-23-18-12-17(13-19(24-2)21(18)25-3)20(22-26-4)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3/b22-20+
InChIKeyDVDHCFLGHXFDHS-LSDHQDQOSA-N
MW351.40 g/mol
LogP4.26
Rot. Bonds6

About (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine

(E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 44580179) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID44580179
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCO/N=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO4/c1-23-18-12-17(13-19(24-2)21(18)25-3)20(22-26-4)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3/b22-20+
InChIKeyDVDHCFLGHXFDHS-LSDHQDQOSA-N
XLogP4.26
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine (CID 44580179) is (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine is CO/N=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is DVDHCFLGHXFDHS-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H21NO4/c1-23-18-12-17(13-19(24-2)21(18)25-3)20(22-26-4)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3/b22-20+.
What are the key properties of (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine?
(E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 351.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 44580179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).