2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine

C23H25NO5 — CID 71555609

IUPAC2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine
SMILESCOc1ccc2c(N)c(C(=C3CCC3)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C23H25NO5/c1-25-15-8-9-16-17(12-15)29-23(21(16)24)20(13-6-5-7-13)14-10-18(26-2)22(28-4)19(11-14)27-3/h8-12H,5-7,24H2,1-4H3
InChIKeyQXEXPHXRPDPIOE-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.04
Rot. Bonds6

About 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine

2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine (PubChem CID 71555609) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine
PubChem CID71555609
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine
SMILESCOc1ccc2c(N)c(C(=C3CCC3)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C23H25NO5/c1-25-15-8-9-16-17(12-15)29-23(21(16)24)20(13-6-5-7-13)14-10-18(26-2)22(28-4)19(11-14)27-3/h8-12H,5-7,24H2,1-4H3
InChIKeyQXEXPHXRPDPIOE-UHFFFAOYSA-N
XLogP5.04
TPSA76.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
The IUPAC name of 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine (CID 71555609) is 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine.
What is the SMILES notation for 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
The canonical SMILES for 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine is COc1ccc2c(N)c(C(=C3CCC3)c3cc(OC)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
The InChIKey is QXEXPHXRPDPIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-25-15-8-9-16-17(12-15)29-23(21(16)24)20(13-6-5-7-13)14-10-18(26-2)22(28-4)19(11-14)27-3/h8-12H,5-7,24H2,1-4H3.
What are the key properties of 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine has a molecular weight of 395.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine is sourced from PubChem (CID 71555609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).