N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide

C18H19N3O — CID 118607283

IUPACN-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide
SMILESCN(CCNC(=O)c1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-20-18(22)17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22)
InChIKeyYMUGOAUDWIAQBS-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide

N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide (PubChem CID 118607283) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide
PubChem CID118607283
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide
SMILESCN(CCNC(=O)c1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-20-18(22)17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22)
InChIKeyYMUGOAUDWIAQBS-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide (CID 118607283) is N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide is CN(CCNC(=O)c1ccc(C#N)cc1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide?
The InChIKey is YMUGOAUDWIAQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-20-18(22)17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide?
N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide has a molecular weight of 293.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-4-cyanobenzamide is sourced from PubChem (CID 118607283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).