N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide

C16H23N3O — CID 95048192

IUPACN-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1
InChIInChI=1S/C16H23N3O/c1-5-10-18(3)15-8-6-14(7-9-15)16(20)19(4)12-13(2)11-17/h6-9,13H,5,10,12H2,1-4H3/t13-/m0/s1
InChIKeyCCQSHIUTQOWWHY-ZDUSSCGKSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

About N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide

N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide (PubChem CID 95048192) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide
PubChem CID95048192
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide
SMILESCCCN(C)c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1
InChIInChI=1S/C16H23N3O/c1-5-10-18(3)15-8-6-14(7-9-15)16(20)19(4)12-13(2)11-17/h6-9,13H,5,10,12H2,1-4H3/t13-/m0/s1
InChIKeyCCQSHIUTQOWWHY-ZDUSSCGKSA-N
XLogP2.76
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]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

4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
4-(bromomethyl)-N-(2-cyanopropyl)-N-methylbenzamide
CID 102851359
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
4-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
CID 61293660
3-[4-(dimethylamino)-N-methylanilino]-2-methylpropanenitrile
CID 82113965
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide (CID 95048192) is N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide is CCCN(C)c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide?
The InChIKey is CCQSHIUTQOWWHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-10-18(3)15-8-6-14(7-9-15)16(20)19(4)12-13(2)11-17/h6-9,13H,5,10,12H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide?
N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide is sourced from PubChem (CID 95048192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).