[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone

C24H25NO5 — CID 143274528

IUPAC[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
SMILESC=CN(C=C)c1oc2c(C)c(OC)ccc2c1C(=O)c1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C24H25NO5/c1-8-25(9-2)24-20(17-10-11-18(27-5)15(4)23(17)30-24)21(26)16-12-14(3)22(29-7)19(13-16)28-6/h8-13H,1-2H2,3-7H3
InChIKeyQHVSLCIULNKODV-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.40
Rot. Bonds8

About [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone

[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone (PubChem CID 143274528) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
PubChem CID143274528
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
SMILESC=CN(C=C)c1oc2c(C)c(OC)ccc2c1C(=O)c1cc(C)c(OC)c(OC)c1
InChIInChI=1S/C24H25NO5/c1-8-25(9-2)24-20(17-10-11-18(27-5)15(4)23(17)30-24)21(26)16-12-14(3)22(29-7)19(13-16)28-6/h8-13H,1-2H2,3-7H3
InChIKeyQHVSLCIULNKODV-UHFFFAOYSA-N
XLogP5.40
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
The IUPAC name of [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone (CID 143274528) is [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
The canonical SMILES for [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone is C=CN(C=C)c1oc2c(C)c(OC)ccc2c1C(=O)c1cc(C)c(OC)c(OC)c1.
What is the InChIKey of [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
The InChIKey is QHVSLCIULNKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-8-25(9-2)24-20(17-10-11-18(27-5)15(4)23(17)30-24)21(26)16-12-14(3)22(29-7)19(13-16)28-6/h8-13H,1-2H2,3-7H3.
What are the key properties of [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone?
[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone has a molecular weight of 407.47 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 143274528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).