N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C16H22N2O2 — CID 119497942

IUPACN-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCCC(C)N)coc2c1C
InChIInChI=1S/C16H22N2O2/c1-10-4-5-14-13(9-20-16(14)12(10)3)8-15(19)18-7-6-11(2)17/h4-5,9,11H,6-8,17H2,1-3H3,(H,18,19)
InChIKeyZDJTUZPYVROYQH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.45
Rot. Bonds5

About N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 119497942) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID119497942
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCCC(C)N)coc2c1C
InChIInChI=1S/C16H22N2O2/c1-10-4-5-14-13(9-20-16(14)12(10)3)8-15(19)18-7-6-11(2)17/h4-5,9,11H,6-8,17H2,1-3H3,(H,18,19)
InChIKeyZDJTUZPYVROYQH-UHFFFAOYSA-N
XLogP2.45
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119548906
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119642385
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 78796855
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935369
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143075

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 119497942) is N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NCCC(C)N)coc2c1C.
What is the InChIKey of N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is ZDJTUZPYVROYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-4-5-14-13(9-20-16(14)12(10)3)8-15(19)18-7-6-11(2)17/h4-5,9,11H,6-8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 119497942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).