4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile

C18H18N2O — CID 43228325

IUPAC4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
SMILESCCN(CC(=O)c1ccc(C#N)cc1)c1ccccc1C
InChIInChI=1S/C18H18N2O/c1-3-20(17-7-5-4-6-14(17)2)13-18(21)16-10-8-15(12-19)9-11-16/h4-11H,3,13H2,1-2H3
InChIKeyLATXPCXSWZHFGV-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.58
Rot. Bonds5

About 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile

4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile (PubChem CID 43228325) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
PubChem CID43228325
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
SMILESCCN(CC(=O)c1ccc(C#N)cc1)c1ccccc1C
InChIInChI=1S/C18H18N2O/c1-3-20(17-7-5-4-6-14(17)2)13-18(21)16-10-8-15(12-19)9-11-16/h4-11H,3,13H2,1-2H3
InChIKeyLATXPCXSWZHFGV-UHFFFAOYSA-N
XLogP3.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
2-(4-cyanophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62404725
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide
CID 55717536
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 43228316
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylphenyl)acetamide
CID 24690300
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43794167
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721

Frequently Asked Questions

What is the IUPAC name of 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile?
The IUPAC name of 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile (CID 43228325) is 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile.
What is the SMILES notation for 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile?
The canonical SMILES for 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile is CCN(CC(=O)c1ccc(C#N)cc1)c1ccccc1C.
What is the InChIKey of 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile?
The InChIKey is LATXPCXSWZHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-20(17-7-5-4-6-14(17)2)13-18(21)16-10-8-15(12-19)9-11-16/h4-11H,3,13H2,1-2H3.
What are the key properties of 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile?
4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile is sourced from PubChem (CID 43228325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).