2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide

C20H26N2O — CID 112810441

IUPAC2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCCN(C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-15-13-16(2)19(17(3)14-15)20(23)21-11-8-12-22(4)18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,21,23)
InChIKeyYODPHXOUHCVHGI-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.87
Rot. Bonds6

About 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide

2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 112810441) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID112810441
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCCN(C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-15-13-16(2)19(17(3)14-15)20(23)21-11-8-12-22(4)18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,21,23)
InChIKeyYODPHXOUHCVHGI-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]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-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939
4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
CID 37315774
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide (CID 112810441) is 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide is Cc1cc(C)c(C(=O)NCCCN(C)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is YODPHXOUHCVHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-13-16(2)19(17(3)14-15)20(23)21-11-8-12-22(4)18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,21,23).
What are the key properties of 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide?
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 310.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 112810441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).