N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine

C26H27NO3 — CID 23597825

IUPACN-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine
SMILESCCOc1cc(-c2ccc(N(C)c3ccc4occc4c3)c(OCC)c2)ccc1C
InChIInChI=1S/C26H27NO3/c1-5-28-25-16-19(8-7-18(25)3)20-9-11-23(26(17-20)29-6-2)27(4)22-10-12-24-21(15-22)13-14-30-24/h7-17H,5-6H2,1-4H3
InChIKeyLTSORDGCUYZQJH-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.97
Rot. Bonds7

About N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine

N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine (PubChem CID 23597825) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine
PubChem CID23597825
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC NameN-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine
SMILESCCOc1cc(-c2ccc(N(C)c3ccc4occc4c3)c(OCC)c2)ccc1C
InChIInChI=1S/C26H27NO3/c1-5-28-25-16-19(8-7-18(25)3)20-9-11-23(26(17-20)29-6-2)27(4)22-10-12-24-21(15-22)13-14-30-24/h7-17H,5-6H2,1-4H3
InChIKeyLTSORDGCUYZQJH-UHFFFAOYSA-N
XLogP6.97
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine?
The IUPAC name of N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine (CID 23597825) is N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine.
What is the SMILES notation for N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine?
The canonical SMILES for N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine is CCOc1cc(-c2ccc(N(C)c3ccc4occc4c3)c(OCC)c2)ccc1C.
What is the InChIKey of N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine?
The InChIKey is LTSORDGCUYZQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-5-28-25-16-19(8-7-18(25)3)20-9-11-23(26(17-20)29-6-2)27(4)22-10-12-24-21(15-22)13-14-30-24/h7-17H,5-6H2,1-4H3.
What are the key properties of N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine?
N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine has a molecular weight of 401.51 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-4-(3-ethoxy-4-methylphenyl)phenyl]-N-methyl-1-benzofuran-5-amine is sourced from PubChem (CID 23597825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).