4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide

C21H23N3O3 — CID 55716802

IUPAC4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCNC3=O)c2)cc1C
InChIInChI=1S/C21H23N3O3/c1-14-6-7-16(12-15(14)2)19(25)8-9-20(26)23-17-4-3-5-18(13-17)24-11-10-22-21(24)27/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyOMBPXMJLGRJBEE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.43
Rot. Bonds6

About 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide

4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide (PubChem CID 55716802) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
PubChem CID55716802
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCNC3=O)c2)cc1C
InChIInChI=1S/C21H23N3O3/c1-14-6-7-16(12-15(14)2)19(25)8-9-20(26)23-17-4-3-5-18(13-17)24-11-10-22-21(24)27/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyOMBPXMJLGRJBEE-UHFFFAOYSA-N
XLogP3.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
CID 55717079
4-(5-methylthiophen-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 71861057
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 55719879
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide
CID 55719816
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 47036521

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide (CID 55716802) is 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide is Cc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCNC3=O)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The InChIKey is OMBPXMJLGRJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-6-7-16(12-15(14)2)19(25)8-9-20(26)23-17-4-3-5-18(13-17)24-11-10-22-21(24)27/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide has a molecular weight of 365.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 55716802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).