N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide

C14H22N2O — CID 19656256

IUPACN-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCN(C)C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-6-7-13(12(2)10-11)14(17)15-8-5-9-16(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyJKMDGAHJPPAYHG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.98
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide

N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide (PubChem CID 19656256) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
PubChem CID19656256
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCN(C)C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-6-7-13(12(2)10-11)14(17)15-8-5-9-16(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyJKMDGAHJPPAYHG-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide 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-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
CID 62510706
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109060255
N-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 94267774
N-[3-(dimethylamino)propyl]-2-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 81112055
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide (CID 19656256) is N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCN(C)C)c(C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide?
The InChIKey is JKMDGAHJPPAYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-7-13(12(2)10-11)14(17)15-8-5-9-16(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17).
What are the key properties of N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide?
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 19656256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).