N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide

C18H20N2O2 — CID 37216672

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-4-8-15(9-5-13)17(21)18(22)19-12-14-6-10-16(11-7-14)20(2)3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyQOGZEQREQBGNTO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.56
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 37216672) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID37216672
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-4-8-15(9-5-13)17(21)18(22)19-12-14-6-10-16(11-7-14)20(2)3/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyQOGZEQREQBGNTO-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519187
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-[4-(dimethylamino)phenyl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 22886924
(Z)-2-cyano-3-[4-(dimethylamino)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 6340226
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9305174
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide (CID 37216672) is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is QOGZEQREQBGNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-4-8-15(9-5-13)17(21)18(22)19-12-14-6-10-16(11-7-14)20(2)3/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 296.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 37216672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).