3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide

C16H23N3O — CID 115743562

IUPAC3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCC(C)(C)CCC#N)c1
InChIInChI=1S/C16H23N3O/c1-16(2,9-6-10-17)12-18-14-8-5-7-13(11-14)15(20)19(3)4/h5,7-8,11,18H,6,9,12H2,1-4H3
InChIKeyGVBMVXLESJHUHI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.13
Rot. Bonds6

About 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide

3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide (PubChem CID 115743562) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide
PubChem CID115743562
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCC(C)(C)CCC#N)c1
InChIInChI=1S/C16H23N3O/c1-16(2,9-6-10-17)12-18-14-8-5-7-13(11-14)15(20)19(3)4/h5,7-8,11,18H,6,9,12H2,1-4H3
InChIKeyGVBMVXLESJHUHI-UHFFFAOYSA-N
XLogP3.13
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-cyano-2,2-dimethylbutyl)amino]benzoate
CID 115884782
4,4-dimethyl-5-(3-methylanilino)pentanenitrile
CID 115671109
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37257020
ethyl (E)-2-cyano-3-[3-(dimethylcarbamoyl)anilino]prop-2-enoate
CID 17231934

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide (CID 115743562) is 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NCC(C)(C)CCC#N)c1.
What is the InChIKey of 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide?
The InChIKey is GVBMVXLESJHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,9-6-10-17)12-18-14-8-5-7-13(11-14)15(20)19(3)4/h5,7-8,11,18H,6,9,12H2,1-4H3.
What are the key properties of 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide?
3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 115743562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).