3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide

C27H25NO6 — CID 26773474

IUPAC3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)cc(OC)c1OC
InChIInChI=1S/C27H25NO6/c1-15-6-8-17(9-7-15)24(29)25-16(2)20-11-10-19(14-21(20)34-25)28-27(30)18-12-22(31-3)26(33-5)23(13-18)32-4/h6-14H,1-5H3,(H,28,30)
InChIKeyZIUREZKPSLCANH-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.56
Rot. Bonds7

About 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide

3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide (PubChem CID 26773474) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
PubChem CID26773474
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Name3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)cc(OC)c1OC
InChIInChI=1S/C27H25NO6/c1-15-6-8-17(9-7-15)24(29)25-16(2)20-11-10-19(14-21(20)34-25)28-27(30)18-12-22(31-3)26(33-5)23(13-18)32-4/h6-14H,1-5H3,(H,28,30)
InChIKeyZIUREZKPSLCANH-UHFFFAOYSA-N
XLogP5.56
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
CID 19959494
2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
CID 20931043
3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
CID 4894452
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
CID 18568645
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)phenyl]benzamide
CID 1150730
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
2-[[3-methyl-2-(4-phenylbenzoyl)-1-benzofuran-6-yl]amino]-2-oxoacetic acid
CID 19417828
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1193343

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide (CID 26773474) is 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide is COc1cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide?
The InChIKey is ZIUREZKPSLCANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO6/c1-15-6-8-17(9-7-15)24(29)25-16(2)20-11-10-19(14-21(20)34-25)28-27(30)18-12-22(31-3)26(33-5)23(13-18)32-4/h6-14H,1-5H3,(H,28,30).
What are the key properties of 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide?
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide has a molecular weight of 459.50 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide is sourced from PubChem (CID 26773474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).