N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

C18H27ClN2O2 — CID 119642385

IUPACN-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1coc2c(C)c(C)ccc12.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-5-18(19,6-2)11-20-16(21)9-14-10-22-17-13(4)12(3)7-8-15(14)17;/h7-8,10H,5-6,9,11,19H2,1-4H3,(H,20,21);1H
InChIKeyVPIPUNHDGVBRMC-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.65
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (PubChem CID 119642385) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
PubChem CID119642385
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1coc2c(C)c(C)ccc12.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-5-18(19,6-2)11-20-16(21)9-14-10-22-17-13(4)12(3)7-8-15(14)17;/h7-8,10H,5-6,9,11,19H2,1-4H3,(H,20,21);1H
InChIKeyVPIPUNHDGVBRMC-UHFFFAOYSA-N
XLogP3.65
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride 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

3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
N-[2-(4-aminophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119548906
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-(2-amino-2-ethylbutyl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119643056
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 35211873
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
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (CID 119642385) is N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is CCC(N)(CC)CNC(=O)Cc1coc2c(C)c(C)ccc12.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The InChIKey is VPIPUNHDGVBRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-5-18(19,6-2)11-20-16(21)9-14-10-22-17-13(4)12(3)7-8-15(14)17;/h7-8,10H,5-6,9,11,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119642385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).