3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide

C20H24N2O2 — CID 119121779

IUPAC3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1
InChIInChI=1S/C20H24N2O2/c1-20(2)11-17-10-15(7-8-18(17)24-20)13-22-12-14-5-4-6-16(9-14)19(23)21-3/h4-10,22H,11-13H2,1-3H3,(H,21,23)
InChIKeyBAYYWWZWYCUXBI-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.05
Rot. Bonds5

About 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide

3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide (PubChem CID 119121779) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide
PubChem CID119121779
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1
InChIInChI=1S/C20H24N2O2/c1-20(2)11-17-10-15(7-8-18(17)24-20)13-22-12-14-5-4-6-16(9-14)19(23)21-3/h4-10,22H,11-13H2,1-3H3,(H,21,23)
InChIKeyBAYYWWZWYCUXBI-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide 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

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N-methylpropanamide
CID 63270938
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
CID 115614318
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
1-[[3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 119121853
N-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethyl]-4-methoxybenzamide
CID 119121934
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]prop-2-en-1-amine
CID 115645149
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 119122037
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
2-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethoxy]acetamide
CID 106235576
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethyl]methanesulfonamide
CID 63271377

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide (CID 119121779) is 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNCc2ccc3c(c2)CC(C)(C)O3)c1.
What is the InChIKey of 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide?
The InChIKey is BAYYWWZWYCUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2)11-17-10-15(7-8-18(17)24-20)13-22-12-14-5-4-6-16(9-14)19(23)21-3/h4-10,22H,11-13H2,1-3H3,(H,21,23).
What are the key properties of 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide?
3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 119121779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).