2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide

C21H27N3O2 — CID 36853212

IUPAC2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(Cc1cccc(NCC(=O)Nc2c(C)cccc2C)c1)C(C)=O
InChIInChI=1S/C21H27N3O2/c1-5-24(17(4)25)14-18-10-7-11-19(12-18)22-13-20(26)23-21-15(2)8-6-9-16(21)3/h6-12,22H,5,13-14H2,1-4H3,(H,23,26)
InChIKeyRBQVIBFEGAFJGU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.72
Rot. Bonds7

About 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 36853212) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID36853212
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(Cc1cccc(NCC(=O)Nc2c(C)cccc2C)c1)C(C)=O
InChIInChI=1S/C21H27N3O2/c1-5-24(17(4)25)14-18-10-7-11-19(12-18)22-13-20(26)23-21-15(2)8-6-9-16(21)3/h6-12,22H,5,13-14H2,1-4H3,(H,23,26)
InChIKeyRBQVIBFEGAFJGU-UHFFFAOYSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
CID 36853201
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide
CID 36853264
N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877923
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 38810050
N-ethyl-N-[[3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methyl]acetamide
CID 78894846
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide (CID 36853212) is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide is CCN(Cc1cccc(NCC(=O)Nc2c(C)cccc2C)c1)C(C)=O.
What is the InChIKey of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RBQVIBFEGAFJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(17(4)25)14-18-10-7-11-19(12-18)22-13-20(26)23-21-15(2)8-6-9-16(21)3/h6-12,22H,5,13-14H2,1-4H3,(H,23,26).
What are the key properties of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide?
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 36853212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).