2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide

C20H21N3O3 — CID 167966063

IUPAC2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-21-18(24)13-15-8-10-16(11-9-15)23-19(25)17(22(2)20(23)26)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyVDNIKVRHPSIPDN-QGZVFWFLSA-N
MW351.41 g/mol
LogP1.98
Rot. Bonds5

About 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide

2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide (PubChem CID 167966063) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide
PubChem CID167966063
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-21-18(24)13-15-8-10-16(11-9-15)23-19(25)17(22(2)20(23)26)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyVDNIKVRHPSIPDN-QGZVFWFLSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.98
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

5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
5-benzyl-3-[4-(3-fluorophenoxy)phenyl]-1-methylimidazolidine-2,4-dione
CID 167960826
5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione
CID 154784664
4-[4-benzyl-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 57422389
N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47172440
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
5-benzyl-3-[4-(4-hydroxyphenyl)butan-2-yl]-1-methylimidazolidine-2,4-dione
CID 139010350
N-methyl-2-(4-phenoxyphenyl)acetamide
CID 20806825
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
2-[3-[1-(4-chlorophenyl)-3-methyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybenzamide
CID 175797149
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide (CID 167966063) is 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)N(C)C2=O)cc1.
What is the InChIKey of 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide?
The InChIKey is VDNIKVRHPSIPDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-21-18(24)13-15-8-10-16(11-9-15)23-19(25)17(22(2)20(23)26)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide?
2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide has a molecular weight of 351.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4R)-4-benzyl-3-methyl-2,5-dioxoimidazolidin-1-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 167966063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).