N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C15H20N2O2 — CID 119405292

IUPACN-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NCCCN)c2cc1C
InChIInChI=1S/C15H20N2O2/c1-10-6-13-12(8-15(18)17-5-3-4-16)9-19-14(13)7-11(10)2/h6-7,9H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyBMLUVZHZLWHRSZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds5

About N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 119405292) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID119405292
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NCCCN)c2cc1C
InChIInChI=1S/C15H20N2O2/c1-10-6-13-12(8-15(18)17-5-3-4-16)9-19-14(13)7-11(10)2/h6-7,9H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyBMLUVZHZLWHRSZ-UHFFFAOYSA-N
XLogP2.06
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
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-[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-[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
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-(3-quinolin-8-yloxypropyl)acetamide
CID 56534852
2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-propylpropanamide
CID 42897715
N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 134029690
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 18871958
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 119405292) is N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)NCCCN)c2cc1C.
What is the InChIKey of N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is BMLUVZHZLWHRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-6-13-12(8-15(18)17-5-3-4-16)9-19-14(13)7-11(10)2/h6-7,9H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 119405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).