4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide

C19H21N3O — CID 52608359

IUPAC4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
SMILESCCN(CCNC(=O)c1ccc(C#N)cc1)c1ccccc1C
InChIInChI=1S/C19H21N3O/c1-3-22(18-7-5-4-6-15(18)2)13-12-21-19(23)17-10-8-16(14-20)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyNXPSQQQFQTVIPB-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.12
Rot. Bonds6

About 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide

4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide (PubChem CID 52608359) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
PubChem CID52608359
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
SMILESCCN(CCNC(=O)c1ccc(C#N)cc1)c1ccccc1C
InChIInChI=1S/C19H21N3O/c1-3-22(18-7-5-4-6-15(18)2)13-12-21-19(23)17-10-8-16(14-20)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyNXPSQQQFQTVIPB-UHFFFAOYSA-N
XLogP3.12
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]propanamide
CID 55717536
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 55725426
4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
CID 43228325
N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46478529
N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 46478628
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271
1-[(3-cyanophenyl)methyl]-3-[2-(N-ethyl-2-methylanilino)ethyl]-1-methylurea
CID 87007283
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
2-(4-cyanophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62404725
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,4,5-trimethoxybenzamide
CID 46478751
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide (CID 52608359) is 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide is CCN(CCNC(=O)c1ccc(C#N)cc1)c1ccccc1C.
What is the InChIKey of 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
The InChIKey is NXPSQQQFQTVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-22(18-7-5-4-6-15(18)2)13-12-21-19(23)17-10-8-16(14-20)9-11-17/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide?
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide is sourced from PubChem (CID 52608359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).