N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide

C28H26N2O6 — CID 68719696

IUPACN-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide
SMILESCOc1ccc(C(=O)c2oc3cc(-c4cccc(CC(=O)N(C)C(N)=O)c4)ccc3c2C)c(OC)c1
InChIInChI=1S/C28H26N2O6/c1-16-21-10-8-19(18-7-5-6-17(12-18)13-25(31)30(2)28(29)33)14-24(21)36-27(16)26(32)22-11-9-20(34-3)15-23(22)35-4/h5-12,14-15H,13H2,1-4H3,(H2,29,33)
InChIKeyMMIOPAWRUHLEIS-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.74
Rot. Bonds7

About N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide

N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide (PubChem CID 68719696) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide
PubChem CID68719696
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC NameN-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide
SMILESCOc1ccc(C(=O)c2oc3cc(-c4cccc(CC(=O)N(C)C(N)=O)c4)ccc3c2C)c(OC)c1
InChIInChI=1S/C28H26N2O6/c1-16-21-10-8-19(18-7-5-6-17(12-18)13-25(31)30(2)28(29)33)14-24(21)36-27(16)26(32)22-11-9-20(34-3)15-23(22)35-4/h5-12,14-15H,13H2,1-4H3,(H2,29,33)
InChIKeyMMIOPAWRUHLEIS-UHFFFAOYSA-N
XLogP4.74
TPSA112.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethoxyphenyl)-[6-[3-(hydroxymethyl)phenyl]-3-methyl-1-benzofuran-2-yl]methanone
CID 68513386
N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 68511610
(2-methoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880611
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
CID 115812154
(2,4-dimethoxyphenyl)-(5-hydroxy-2-methyl-1-benzofuran-3-yl)methanone
CID 877252
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270350
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide (CID 68719696) is N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide is COc1ccc(C(=O)c2oc3cc(-c4cccc(CC(=O)N(C)C(N)=O)c4)ccc3c2C)c(OC)c1.
What is the InChIKey of N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide?
The InChIKey is MMIOPAWRUHLEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-16-21-10-8-19(18-7-5-6-17(12-18)13-25(31)30(2)28(29)33)14-24(21)36-27(16)26(32)22-11-9-20(34-3)15-23(22)35-4/h5-12,14-15H,13H2,1-4H3,(H2,29,33).
What are the key properties of N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide?
N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide has a molecular weight of 486.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 68719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).