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

C18H24N2O3 — CID 35518370

IUPACN-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCc1cc2occ(CC(=O)NCCNC(=O)C(C)C)c2cc1C
InChIInChI=1S/C18H24N2O3/c1-11(2)18(22)20-6-5-19-17(21)9-14-10-23-16-8-13(4)12(3)7-15(14)16/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPKDRTTYPAZTYFG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.48
Rot. Bonds6

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

N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide (PubChem CID 35518370) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
PubChem CID35518370
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
SMILESCc1cc2occ(CC(=O)NCCNC(=O)C(C)C)c2cc1C
InChIInChI=1S/C18H24N2O3/c1-11(2)18(22)20-6-5-19-17(21)9-14-10-23-16-8-13(4)12(3)7-15(14)16/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPKDRTTYPAZTYFG-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
CID 42897715
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447799
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-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950374
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561
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-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 134029690
N-benzhydryl-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7930956
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51968597
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide (CID 35518370) is N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide is Cc1cc2occ(CC(=O)NCCNC(=O)C(C)C)c2cc1C.
What is the InChIKey of N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is PKDRTTYPAZTYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11(2)18(22)20-6-5-19-17(21)9-14-10-23-16-8-13(4)12(3)7-15(14)16/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 35518370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).