N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide

C14H19N3O — CID 63228598

IUPACN-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C14H19N3O/c1-10-5-6-13(16-3)12(9-10)14(18)17(4)11(2)7-8-15/h5-6,9,11,16H,7H2,1-4H3
InChIKeyBWXIFHWTBFEGEB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.41
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide

N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide (PubChem CID 63228598) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
PubChem CID63228598
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)N(C)C(C)CC#N
InChIInChI=1S/C14H19N3O/c1-10-5-6-13(16-3)12(9-10)14(18)17(4)11(2)7-8-15/h5-6,9,11,16H,7H2,1-4H3
InChIKeyBWXIFHWTBFEGEB-UHFFFAOYSA-N
XLogP2.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509503
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 63228421
N-ethyl-5-methyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509677
N-(2-chloro-4-methylphenyl)-N'-[(2R)-1-cyanopropan-2-yl]-N'-methyloxamide
CID 129381802
N-(1-cyanopropan-2-yl)-5-fluoro-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 114035010
N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589
N,4-dimethyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664234
2-(ethylamino)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 62510944
5-methyl-2-(methylamino)-N,N-dipropylbenzamide
CID 55082842
5-methyl-2-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 62509073
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
CID 63224492
2-(ethylamino)-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664232

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide (CID 63228598) is N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)N(C)C(C)CC#N.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide?
The InChIKey is BWXIFHWTBFEGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-6-13(16-3)12(9-10)14(18)17(4)11(2)7-8-15/h5-6,9,11,16H,7H2,1-4H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide?
N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide has a molecular weight of 245.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide is sourced from PubChem (CID 63228598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).