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

C18H24N2O3 — CID 42897715

IUPAC2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1coc2cc(C)c(C)cc12
InChIInChI=1S/C18H24N2O3/c1-5-6-19-18(22)13(4)20-17(21)9-14-10-23-16-8-12(3)11(2)7-15(14)16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyRDGPPCODTPTPOX-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.62
Rot. Bonds6

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

2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide (PubChem CID 42897715) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
PubChem CID42897715
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1coc2cc(C)c(C)cc12
InChIInChI=1S/C18H24N2O3/c1-5-6-19-18(22)13(4)20-17(21)9-14-10-23-16-8-12(3)11(2)7-15(14)16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyRDGPPCODTPTPOX-UHFFFAOYSA-N
XLogP2.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7930956
N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 7393915
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447799
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 42899513
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 18082511
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
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51968597
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950374
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide (CID 42897715) is 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)Cc1coc2cc(C)c(C)cc12.
What is the InChIKey of 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide?
The InChIKey is RDGPPCODTPTPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-6-19-18(22)13(4)20-17(21)9-14-10-23-16-8-12(3)11(2)7-15(14)16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide?
2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 42897715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).