N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

C18H26N2O2 — CID 119652946

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)CC(C)(C)CN)c2cc1C
InChIInChI=1S/C18H26N2O2/c1-12-6-15-14(9-22-16(15)7-13(12)2)8-17(21)20(5)11-18(3,4)10-19/h6-7,9H,8,10-11,19H2,1-5H3
InChIKeyUGSRUSHKDGGVIY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.04
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 119652946) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID119652946
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1cc2occ(CC(=O)N(C)CC(C)(C)CN)c2cc1C
InChIInChI=1S/C18H26N2O2/c1-12-6-15-14(9-22-16(15)7-13(12)2)8-17(21)20(5)11-18(3,4)10-19/h6-7,9H,8,10-11,19H2,1-5H3
InChIKeyUGSRUSHKDGGVIY-UHFFFAOYSA-N
XLogP3.04
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119605884
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 38041694
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78770799
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N,N-dimethylacetamide
CID 2986395
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119653437
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluoro-3-methylphenyl)-N-methylacetamide
CID 115272555
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550456
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510652
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide
CID 119653495
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
N-(3-amino-2,2-dimethylpropyl)-2-(5-chloro-2-methoxyphenyl)-N-methylacetamide
CID 119652426
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 46954636

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (CID 119652946) is N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is Cc1cc2occ(CC(=O)N(C)CC(C)(C)CN)c2cc1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is UGSRUSHKDGGVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-6-15-14(9-22-16(15)7-13(12)2)8-17(21)20(5)11-18(3,4)10-19/h6-7,9H,8,10-11,19H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 302.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 119652946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).