2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide

C26H22N2O4 — CID 57397928

IUPAC2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc4cc(C(N)=O)ccc4c3)cc2OC)cc1
InChIInChI=1S/C26H22N2O4/c1-31-22-10-7-16(8-11-22)23-12-9-21(15-24(23)32-2)28-26(30)20-6-4-17-13-19(25(27)29)5-3-18(17)14-20/h3-15H,1-2H3,(H2,27,29)(H,28,30)
InChIKeyGBMAFDMSIYDQQE-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.88
Rot. Bonds6

About 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide

2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide (PubChem CID 57397928) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide
PubChem CID57397928
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc4cc(C(N)=O)ccc4c3)cc2OC)cc1
InChIInChI=1S/C26H22N2O4/c1-31-22-10-7-16(8-11-22)23-12-9-21(15-24(23)32-2)28-26(30)20-6-4-17-13-19(25(27)29)5-3-18(17)14-20/h3-15H,1-2H3,(H2,27,29)(H,28,30)
InChIKeyGBMAFDMSIYDQQE-UHFFFAOYSA-N
XLogP4.88
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide (CID 57397928) is 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide is COc1ccc(-c2ccc(NC(=O)c3ccc4cc(C(N)=O)ccc4c3)cc2OC)cc1.
What is the InChIKey of 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide?
The InChIKey is GBMAFDMSIYDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-22-10-7-16(8-11-22)23-12-9-21(15-24(23)32-2)28-26(30)20-6-4-17-13-19(25(27)29)5-3-18(17)14-20/h3-15H,1-2H3,(H2,27,29)(H,28,30).
What are the key properties of 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide?
2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 57397928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).