4-[4-(dimethylamino)phenyl]-N-methylbenzamide

C16H18N2O — CID 110487764

IUPAC4-[4-(dimethylamino)phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-17-16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)18(2)3/h4-11H,1-3H3,(H,17,19)
InChIKeyZSTWJJLBQIAVCI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.78
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-N-methylbenzamide

4-[4-(dimethylamino)phenyl]-N-methylbenzamide (PubChem CID 110487764) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-methylbenzamide
PubChem CID110487764
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[4-(dimethylamino)phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-17-16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)18(2)3/h4-11H,1-3H3,(H,17,19)
InChIKeyZSTWJJLBQIAVCI-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
4-[4-(dimethylamino)phenyl]-N,N-dimethylbenzamide
CID 110487766
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 3686157
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide
CID 24788094
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-methylbenzamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-methylbenzamide (CID 110487764) is 4-[4-(dimethylamino)phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-methylbenzamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-methylbenzamide?
The InChIKey is ZSTWJJLBQIAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)18(2)3/h4-11H,1-3H3,(H,17,19).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-methylbenzamide?
4-[4-(dimethylamino)phenyl]-N-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-methylbenzamide is sourced from PubChem (CID 110487764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).