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

C23H26N2O3 — CID 31303355

IUPACN,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c2cc1C(C)C
InChIInChI=1S/C23H26N2O3/c1-14(2)19-12-20-17(13-28-21(20)10-15(19)3)11-22(26)24-18-8-6-16(7-9-18)23(27)25(4)5/h6-10,12-14H,11H2,1-5H3,(H,24,26)
InChIKeyOBARYJXZEPQNPO-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.75
Rot. Bonds5

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

N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide (PubChem CID 31303355) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
PubChem CID31303355
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
SMILESCc1cc2occ(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c2cc1C(C)C
InChIInChI=1S/C23H26N2O3/c1-14(2)19-12-20-17(13-28-21(20)10-15(19)3)11-22(26)24-18-8-6-16(7-9-18)23(27)25(4)5/h6-10,12-14H,11H2,1-5H3,(H,24,26)
InChIKeyOBARYJXZEPQNPO-UHFFFAOYSA-N
XLogP4.75
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32942559
N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2513771
N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 39969563
2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 39214150
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
N-[4-[[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 38128775
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 43007944
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18268666

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide (CID 31303355) is N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide is Cc1cc2occ(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c2cc1C(C)C.
What is the InChIKey of N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
The InChIKey is OBARYJXZEPQNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14(2)19-12-20-17(13-28-21(20)10-15(19)3)11-22(26)24-18-8-6-16(7-9-18)23(27)25(4)5/h6-10,12-14H,11H2,1-5H3,(H,24,26).
What are the key properties of N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide has a molecular weight of 378.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 31303355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).