2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide

C18H25NO3 — CID 111447799

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCc1cc2occ(CC(=O)NCC(C)CC(C)O)c2cc1C
InChIInChI=1S/C18H25NO3/c1-11(5-14(4)20)9-19-18(21)8-15-10-22-17-7-13(3)12(2)6-16(15)17/h6-7,10-11,14,20H,5,8-9H2,1-4H3,(H,19,21)
InChIKeyXJAMOOWOULDGJA-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.12
Rot. Bonds6

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide (PubChem CID 111447799) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
PubChem CID111447799
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCc1cc2occ(CC(=O)NCC(C)CC(C)O)c2cc1C
InChIInChI=1S/C18H25NO3/c1-11(5-14(4)20)9-19-18(21)8-15-10-22-17-7-13(3)12(2)6-16(15)17/h6-7,10-11,14,20H,5,8-9H2,1-4H3,(H,19,21)
InChIKeyXJAMOOWOULDGJA-UHFFFAOYSA-N
XLogP3.12
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide 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

N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950374
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561
2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
CID 42897715
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119605884
N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 66107127
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7930956
4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 38107740

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide (CID 111447799) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide is Cc1cc2occ(CC(=O)NCC(C)CC(C)O)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The InChIKey is XJAMOOWOULDGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11(5-14(4)20)9-19-18(21)8-15-10-22-17-7-13(3)12(2)6-16(15)17/h6-7,10-11,14,20H,5,8-9H2,1-4H3,(H,19,21).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 111447799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).