4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide

C24H25N3O2 — CID 109047140

IUPAC4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)19-9-11-20(12-10-19)24(29)27(3)17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,25,28)
InChIKeySGFKXZTXGCTVBR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.28
Rot. Bonds6

About 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide

4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 109047140) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID109047140
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)19-9-11-20(12-10-19)24(29)27(3)17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,25,28)
InChIKeySGFKXZTXGCTVBR-UHFFFAOYSA-N
XLogP4.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide 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-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
4-N-benzyl-4-N-methyl-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047105
[bis[4-[[4-(dimethylamino)benzoyl]amino]phenyl]methylideneamino] 2-phenylacetate
CID 87274383
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide
CID 10716154

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide (CID 109047140) is 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is SGFKXZTXGCTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)19-9-11-20(12-10-19)24(29)27(3)17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H,25,28).
What are the key properties of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide?
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109047140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).