4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide

C19H21N3O — CID 133384325

IUPAC4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O/c1-4-22(18-11-7-15(13-20)8-12-18)14-16-5-9-17(10-6-16)19(23)21(2)3/h5-12H,4,14H2,1-3H3
InChIKeyDYQSXNDBKRGLJT-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.29
Rot. Bonds5

About 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide

4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide (PubChem CID 133384325) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
PubChem CID133384325
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C19H21N3O/c1-4-22(18-11-7-15(13-20)8-12-18)14-16-5-9-17(10-6-16)19(23)21(2)3/h5-12H,4,14H2,1-3H3
InChIKeyDYQSXNDBKRGLJT-UHFFFAOYSA-N
XLogP3.29
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide
CID 23508526
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60968945
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
4-cyano-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960210
4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide
CID 133384313
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
4-[[ethyl(methyl)amino]methyl]benzonitrile
CID 43247494
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide
CID 60875913
N-(2-aminoethyl)-4-cyano-N-methylbenzamide
CID 62681129
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide (CID 133384325) is 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide?
The InChIKey is DYQSXNDBKRGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-22(18-11-7-15(13-20)8-12-18)14-16-5-9-17(10-6-16)19(23)21(2)3/h5-12H,4,14H2,1-3H3.
What are the key properties of 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide?
4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide has a molecular weight of 307.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 133384325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).