(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine

C38H36N2O4 — CID 101116773

IUPAC(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine
SMILESCCc1oc2ccccc2c1/C(Cc1ccc(OC)cc1)=N\N=C(/Cc1ccc(OC)cc1)c1c(CC)oc2ccccc12
InChIInChI=1S/C38H36N2O4/c1-5-33-37(29-11-7-9-13-35(29)43-33)31(23-25-15-19-27(41-3)20-16-25)39-40-32(24-26-17-21-28(42-4)22-18-26)38-30-12-8-10-14-36(30)44-34(38)6-2/h7-22H,5-6,23-24H2,1-4H3/b39-31-,40-32+
InChIKeyHWKHUBOJKHFQAU-PIXQJZRNSA-N
MW584.72 g/mol
LogP9.00
Rot. Bonds11

About (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine

(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine (PubChem CID 101116773) has the molecular formula C38H36N2O4 and a molecular weight of 584.72 g/mol. Its IUPAC name is (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine
PubChem CID101116773
Molecular FormulaC38H36N2O4
Molecular Weight584.72 g/mol
Exact Mass584.27
IUPAC Name(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine
SMILESCCc1oc2ccccc2c1/C(Cc1ccc(OC)cc1)=N\N=C(/Cc1ccc(OC)cc1)c1c(CC)oc2ccccc12
InChIInChI=1S/C38H36N2O4/c1-5-33-37(29-11-7-9-13-35(29)43-33)31(23-25-15-19-27(41-3)20-16-25)39-40-32(24-26-17-21-28(42-4)22-18-26)38-30-12-8-10-14-36(30)44-34(38)6-2/h7-22H,5-6,23-24H2,1-4H3/b39-31-,40-32+
InChIKeyHWKHUBOJKHFQAU-PIXQJZRNSA-N
XLogP9.00
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine with MolForge

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Related Compounds

1-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9086021
2-ethyl-1-(2-ethyl-1-benzofuran-3-yl)butan-1-one
CID 63497652
(4-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260414
(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260422
2-ethyl-3-[(E)-2-[(4-methoxyphenyl)methyl]but-1-enyl]-5-methyl-1-benzofuran
CID 142970496
1-(2-ethyl-1-benzofuran-3-yl)-2-(4-hydroxy-3,5-diiodophenyl)ethanone
CID 10602323
1-(2-ethyl-1-benzofuran-3-yl)-3-methylbutan-1-one
CID 62957846
4-hydroxy-3-[N-[(4-methoxyphenyl)methyl]-C-methylcarbonimidoyl]chromen-2-one
CID 146020961
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
2-butyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzofuran
CID 23445662
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
(4-methoxyphenyl)-(4,5,6,7-tetradeuterio-2-ethyl-1-benzofuran-3-yl)methanone
CID 155287233

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine?
The IUPAC name of (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine (CID 101116773) is (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine?
The canonical SMILES for (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine is CCc1oc2ccccc2c1/C(Cc1ccc(OC)cc1)=N\N=C(/Cc1ccc(OC)cc1)c1c(CC)oc2ccccc12.
What is the InChIKey of (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine?
The InChIKey is HWKHUBOJKHFQAU-PIXQJZRNSA-N. The full InChI is InChI=1S/C38H36N2O4/c1-5-33-37(29-11-7-9-13-35(29)43-33)31(23-25-15-19-27(41-3)20-16-25)39-40-32(24-26-17-21-28(42-4)22-18-26)38-30-12-8-10-14-36(30)44-34(38)6-2/h7-22H,5-6,23-24H2,1-4H3/b39-31-,40-32+.
What are the key properties of (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine?
(Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine has a molecular weight of 584.72 g/mol, XLogP of 9.00, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethyl-1-benzofuran-3-yl)-N-[(E)-[1-(2-ethyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethylidene]amino]-2-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 101116773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).