N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide

C23H28N4O3 — CID 56512322

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(N2CCNC2=O)c(C)c1
InChIInChI=1S/C23H28N4O3/c1-5-26(15-17-6-8-18(9-7-17)21(28)25(3)4)22(29)19-10-11-20(16(2)14-19)27-13-12-24-23(27)30/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,30)
InChIKeyREZMLFHKZJTEDM-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.89
Rot. Bonds6

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 56512322) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID56512322
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(N2CCNC2=O)c(C)c1
InChIInChI=1S/C23H28N4O3/c1-5-26(15-17-6-8-18(9-7-17)21(28)25(3)4)22(29)19-10-11-20(16(2)14-19)27-13-12-24-23(27)30/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,30)
InChIKeyREZMLFHKZJTEDM-UHFFFAOYSA-N
XLogP2.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide (CID 56512322) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(N2CCNC2=O)c(C)c1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is REZMLFHKZJTEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-26(15-17-6-8-18(9-7-17)21(28)25(3)4)22(29)19-10-11-20(16(2)14-19)27-13-12-24-23(27)30/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,30).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 56512322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).