2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide

C13H20N2O — CID 43221669

IUPAC2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-4-15-13(16)9-14-8-12-6-5-10(2)11(3)7-12/h5-7,14H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyVIGONIUZTSDQJF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds5

About 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide

2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide (PubChem CID 43221669) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
PubChem CID43221669
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-4-15-13(16)9-14-8-12-6-5-10(2)11(3)7-12/h5-7,14H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyVIGONIUZTSDQJF-UHFFFAOYSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide 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-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 106787110
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
CID 43398896
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996
N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
CID 86993800
N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777709
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-ethylacetamide
CID 65244076
3-[2-[(3,4-dimethylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116011

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide (CID 43221669) is 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(C)c(C)c1.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide?
The InChIKey is VIGONIUZTSDQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15-13(16)9-14-8-12-6-5-10(2)11(3)7-12/h5-7,14H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide?
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide has a molecular weight of 220.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 43221669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).