4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide

C21H22N2O3 — CID 38107740

IUPAC4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c2cc1C
InChIInChI=1S/C21H22N2O3/c1-13-9-18-16(12-26-19(18)10-14(13)2)11-20(24)22-17-7-5-15(6-8-17)21(25)23(3)4/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyLGJLWGZORDBGTD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.93
Rot. Bonds4

About 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 38107740) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID38107740
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c2cc1C
InChIInChI=1S/C21H22N2O3/c1-13-9-18-16(12-26-19(18)10-14(13)2)11-20(24)22-17-7-5-15(6-8-17)21(25)23(3)4/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyLGJLWGZORDBGTD-UHFFFAOYSA-N
XLogP3.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
N-(4-acetamido-3-methylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 46550765
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78890275
N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide
CID 134039170
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 38107740) is 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide is Cc1cc2occ(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c2cc1C.
What is the InChIKey of 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is LGJLWGZORDBGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-9-18-16(12-26-19(18)10-14(13)2)11-20(24)22-17-7-5-15(6-8-17)21(25)23(3)4/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 38107740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).