3-cyano-N-[3-(N-methylanilino)propyl]benzamide

C18H19N3O — CID 24708607

IUPAC3-cyano-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(17-9-3-2-4-10-17)12-6-11-20-18(22)16-8-5-7-15(13-16)14-19/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22)
InChIKeyBRLCNIMZHMBFHT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.81
Rot. Bonds6

About 3-cyano-N-[3-(N-methylanilino)propyl]benzamide

3-cyano-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 24708607) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-cyano-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID24708607
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-cyano-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(17-9-3-2-4-10-17)12-6-11-20-18(22)16-8-5-7-15(13-16)14-19/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22)
InChIKeyBRLCNIMZHMBFHT-UHFFFAOYSA-N
XLogP2.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
CID 37315817
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
N-(5-bromo-4-methylpentyl)-3-cyanobenzamide
CID 106157456

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(N-methylanilino)propyl]benzamide (CID 24708607) is 3-cyano-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of 3-cyano-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is BRLCNIMZHMBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(17-9-3-2-4-10-17)12-6-11-20-18(22)16-8-5-7-15(13-16)14-19/h2-5,7-10,13H,6,11-12H2,1H3,(H,20,22).
What are the key properties of 3-cyano-N-[3-(N-methylanilino)propyl]benzamide?
3-cyano-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 293.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 24708607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).