4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide

C20H23N3O — CID 52822955

IUPAC4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCCCCN(C)c1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H23N3O/c1-4-5-13-22(2)18-11-9-17(10-12-18)20(24)23(3)19-8-6-7-16(14-19)15-21/h6-12,14H,4-5,13H2,1-3H3
InChIKeyJILYDSWYRPWVNN-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.07
Rot. Bonds6

About 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide

4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide (PubChem CID 52822955) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
PubChem CID52822955
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCCCCN(C)c1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1
InChIInChI=1S/C20H23N3O/c1-4-5-13-22(2)18-11-9-17(10-12-18)20(24)23(3)19-8-6-7-16(14-19)15-21/h6-12,14H,4-5,13H2,1-3H3
InChIKeyJILYDSWYRPWVNN-UHFFFAOYSA-N
XLogP4.07
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide
CID 70325221
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
3-[3-ethylsulfonylpropyl(methyl)amino]benzonitrile
CID 65092958
N-(3-bromopropyl)-3-cyano-N-methylbenzamide
CID 106441259
3-[methyl-[3-(propylamino)propyl]amino]benzonitrile
CID 62982409

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide (CID 52822955) is 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide is CCCCN(C)c1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide?
The InChIKey is JILYDSWYRPWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-5-13-22(2)18-11-9-17(10-12-18)20(24)23(3)19-8-6-7-16(14-19)15-21/h6-12,14H,4-5,13H2,1-3H3.
What are the key properties of 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide?
4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide has a molecular weight of 321.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 52822955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).