N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide

C21H23N3O3 — CID 33046283

IUPACN-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CNC3=O)c2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-14-7-8-18(15(2)9-14)13-23(3)20(26)17-6-4-5-16(10-17)12-24-19(25)11-22-21(24)27/h4-10H,11-13H2,1-3H3,(H,22,27)
InChIKeyBGKRCIUSKSEESX-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.63
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide

N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide (PubChem CID 33046283) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
PubChem CID33046283
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CNC3=O)c2)c(C)c1
InChIInChI=1S/C21H23N3O3/c1-14-7-8-18(15(2)9-14)13-23(3)20(26)17-6-4-5-16(10-17)12-24-19(25)11-22-21(24)27/h4-10H,11-13H2,1-3H3,(H,22,27)
InChIKeyBGKRCIUSKSEESX-UHFFFAOYSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35438664
N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119656251
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9228105
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168732
3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 9228041
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 124614078
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9228031
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9277349
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide (CID 33046283) is N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide is Cc1ccc(CN(C)C(=O)c2cccc(CN3C(=O)CNC3=O)c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
The InChIKey is BGKRCIUSKSEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-7-8-18(15(2)9-14)13-23(3)20(26)17-6-4-5-16(10-17)12-24-19(25)11-22-21(24)27/h4-10H,11-13H2,1-3H3,(H,22,27).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide?
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 33046283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).