4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide

C17H21N3O — CID 60985488

IUPAC4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-18-17(21)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)20(2)3/h4-11,19H,12H2,1-3H3,(H,18,21)
InChIKeyMNFGBTBFCYOGCK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.72
Rot. Bonds5

About 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide

4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide (PubChem CID 60985488) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
PubChem CID60985488
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-18-17(21)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)20(2)3/h4-11,19H,12H2,1-3H3,(H,18,21)
InChIKeyMNFGBTBFCYOGCK-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]benzoic acid
CID 71339096
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide (CID 60985488) is 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide?
The InChIKey is MNFGBTBFCYOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-17(21)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)20(2)3/h4-11,19H,12H2,1-3H3,(H,18,21).
What are the key properties of 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide?
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide is sourced from PubChem (CID 60985488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).