N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide

C25H26N2O2 — CID 112996368

IUPACN-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
SMILESCc1ccc(NC(=O)CNC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H26N2O2/c1-18-13-14-23(19(2)15-18)27-25(29)17-26-24(28)16-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,22H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOUQTZAPJIOYFEM-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.58
Rot. Bonds7

About N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide

N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide (PubChem CID 112996368) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
PubChem CID112996368
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
SMILESCc1ccc(NC(=O)CNC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H26N2O2/c1-18-13-14-23(19(2)15-18)27-25(29)17-26-24(28)16-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,22H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyOUQTZAPJIOYFEM-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131700
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide (CID 112996368) is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide is Cc1ccc(NC(=O)CNC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
The InChIKey is OUQTZAPJIOYFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-13-14-23(19(2)15-18)27-25(29)17-26-24(28)16-22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,22H,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide?
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide has a molecular weight of 386.50 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 112996368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).