2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide

C18H22N2O2 — CID 86861731

IUPAC2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(CC(=O)N(C)Cc1ccccc1O)Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19(12-15-8-4-3-5-9-15)14-18(22)20(2)13-16-10-6-7-11-17(16)21/h3-11,21H,12-14H2,1-2H3
InChIKeyLOYCKKDOWIPUTJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.48
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide

2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 86861731) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID86861731
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(CC(=O)N(C)Cc1ccccc1O)Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19(12-15-8-4-3-5-9-15)14-18(22)20(2)13-16-10-6-7-11-17(16)21/h3-11,21H,12-14H2,1-2H3
InChIKeyLOYCKKDOWIPUTJ-UHFFFAOYSA-N
XLogP2.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide 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

2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
3-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987110
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (CID 86861731) is 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide is CN(CC(=O)N(C)Cc1ccccc1O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is LOYCKKDOWIPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19(12-15-8-4-3-5-9-15)14-18(22)20(2)13-16-10-6-7-11-17(16)21/h3-11,21H,12-14H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 86861731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).