6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide

C27H33NO6 — CID 71963767

IUPAC6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide
SMILESCOc1ccccc1CCNC(=O)CCC(C)=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2
InChIInChI=1S/C27H33NO6/c1-17(11-13-23(29)28-15-14-19-8-6-7-9-22(19)31-3)10-12-20-25(32-4)18(2)21-16-34-27(30)24(21)26(20)33-5/h6-10H,11-16H2,1-5H3,(H,28,29)
InChIKeySYGZIMCVTMNLQZ-UHFFFAOYSA-N
MW467.56 g/mol
LogP4.32
Rot. Bonds11

About 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide

6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide (PubChem CID 71963767) has the molecular formula C27H33NO6 and a molecular weight of 467.56 g/mol. Its IUPAC name is 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide.

Molecular Properties

Compound Name6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide
PubChem CID71963767
Molecular FormulaC27H33NO6
Molecular Weight467.56 g/mol
Exact Mass467.23
IUPAC Name6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide
SMILESCOc1ccccc1CCNC(=O)CCC(C)=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2
InChIInChI=1S/C27H33NO6/c1-17(11-13-23(29)28-15-14-19-8-6-7-9-22(19)31-3)10-12-20-25(32-4)18(2)21-16-34-27(30)24(21)26(20)33-5/h6-10H,11-16H2,1-5H3,(H,28,29)
InChIKeySYGZIMCVTMNLQZ-UHFFFAOYSA-N
XLogP4.32
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methyl-N-(2-phenylsulfanylethyl)hex-4-enamide
CID 163088529
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylhex-4-enamide
CID 52905494
methyl 4-[[(E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]benzoate
CID 52905493
4-[[6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]amino]butanoic acid
CID 139590660
(E)-N-cycloheptyl-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enamide
CID 52905506
(E)-N-cyclooctyl-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enamide
CID 52905490
6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylhex-4-enamide
CID 71963745
(E)-6-[4-[5-[(3,4-dimethoxyphenyl)methylamino]-5-oxopentanoyl]oxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
CID 71504408
6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-(2,2-dimethyloxan-4-yl)-4-methylhex-4-enamide
CID 71825855
(E)-N-(4-chlorophenyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enamide
CID 162648640
(E)-6-[6-methoxy-4-(5-methoxy-5-oxopentanoyl)oxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
CID 67854300
azane;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
CID 68729941

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide?
The IUPAC name of 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide (CID 71963767) is 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide.
What is the SMILES notation for 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide?
The canonical SMILES for 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide is COc1ccccc1CCNC(=O)CCC(C)=CCc1c(OC)c(C)c2c(c1OC)C(=O)OC2.
What is the InChIKey of 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide?
The InChIKey is SYGZIMCVTMNLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO6/c1-17(11-13-23(29)28-15-14-19-8-6-7-9-22(19)31-3)10-12-20-25(32-4)18(2)21-16-34-27(30)24(21)26(20)33-5/h6-10H,11-16H2,1-5H3,(H,28,29).
What are the key properties of 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide?
6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide has a molecular weight of 467.56 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-4-methylhex-4-enamide is sourced from PubChem (CID 71963767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).