3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide

C18H22N2O — CID 84558207

IUPAC3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O/c1-4-15-9-5-6-11-17(15)19-13-14-8-7-10-16(12-14)18(21)20(2)3/h5-12,19H,4,13H2,1-3H3
InChIKeyLWEZTAJWTSVLMO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds5

About 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide

3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide (PubChem CID 84558207) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
PubChem CID84558207
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O/c1-4-15-9-5-6-11-17(15)19-13-14-8-7-10-16(12-14)18(21)20(2)3/h5-12,19H,4,13H2,1-3H3
InChIKeyLWEZTAJWTSVLMO-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide 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

[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556572
N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide
CID 84556601
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-hydroxypropanoic acid
CID 84556600
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-methylbutanoic acid
CID 84556582
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide (CID 84558207) is 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide is CCc1ccccc1NCc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide?
The InChIKey is LWEZTAJWTSVLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-15-9-5-6-11-17(15)19-13-14-8-7-10-16(12-14)18(21)20(2)3/h5-12,19H,4,13H2,1-3H3.
What are the key properties of 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide?
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 84558207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).