N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide

C17H20N2O2 — CID 110877923

IUPACN-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(CO)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-6-13(2)17(12)19-16(21)10-18-15-8-4-7-14(9-15)11-20/h3-9,18,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyCLORNHLBQILDSU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.85
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide

N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide (PubChem CID 110877923) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
PubChem CID110877923
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(CO)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-6-13(2)17(12)19-16(21)10-18-15-8-4-7-14(9-15)11-20/h3-9,18,20H,10-11H2,1-2H3,(H,19,21)
InChIKeyCLORNHLBQILDSU-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
CID 36853212
N-(2-ethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877901
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
N-[4-(cyanomethyl)phenyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110878874
N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837342
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834115
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 110929600
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide (CID 110877923) is N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide is Cc1cccc(C)c1NC(=O)CNc1cccc(CO)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide?
The InChIKey is CLORNHLBQILDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-3-6-13(2)17(12)19-16(21)10-18-15-8-4-7-14(9-15)11-20/h3-9,18,20H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide?
N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide is sourced from PubChem (CID 110877923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).