3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide

C15H19N3O — CID 105417747

IUPAC3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cccc(C#N)c2)CCC1
InChIInChI=1S/C15H19N3O/c1-18(2)15(7-4-8-15)11-17-14(19)13-6-3-5-12(9-13)10-16/h3,5-6,9H,4,7-8,11H2,1-2H3,(H,17,19)
InChIKeyQLBGQTPUYNJCSW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds4

About 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide

3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide (PubChem CID 105417747) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
PubChem CID105417747
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cccc(C#N)c2)CCC1
InChIInChI=1S/C15H19N3O/c1-18(2)15(7-4-8-15)11-17-14(19)13-6-3-5-12(9-13)10-16/h3,5-6,9H,4,7-8,11H2,1-2H3,(H,17,19)
InChIKeyQLBGQTPUYNJCSW-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
CID 166317885

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide (CID 105417747) is 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide is CN(C)C1(CNC(=O)c2cccc(C#N)c2)CCC1.
What is the InChIKey of 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide?
The InChIKey is QLBGQTPUYNJCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)15(7-4-8-15)11-17-14(19)13-6-3-5-12(9-13)10-16/h3,5-6,9H,4,7-8,11H2,1-2H3,(H,17,19).
What are the key properties of 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide?
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide is sourced from PubChem (CID 105417747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).