[5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate

C19H21N3O3 — CID 102402605

IUPAC[5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate
SMILESCC(=O)OC1C(Nc2ccc(C)cc2)NC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C19H21N3O3/c1-12-4-8-15(9-5-12)20-17-18(25-14(3)23)22(19(24)21-17)16-10-6-13(2)7-11-16/h4-11,17-18,20H,1-3H3,(H,21,24)
InChIKeySLCSRINNXGPRNO-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.16
Rot. Bonds4

About [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate

[5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate (PubChem CID 102402605) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate.

Molecular Properties

Compound Name[5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate
PubChem CID102402605
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate
SMILESCC(=O)OC1C(Nc2ccc(C)cc2)NC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C19H21N3O3/c1-12-4-8-15(9-5-12)20-17-18(25-14(3)23)22(19(24)21-17)16-10-6-13(2)7-11-16/h4-11,17-18,20H,1-3H3,(H,21,24)
InChIKeySLCSRINNXGPRNO-UHFFFAOYSA-N
XLogP3.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
Ethyl N-[(4-Aminobenzyl)carbamoyl]glycinate
CID 53259809
Ethyl N-{[4-(Acetylamino)benzyl]carbamoyl}glycinate
CID 81689780
2-[(Phenylcarbamoyl)amino]ethyl hydroxy(4-methylphenyl)carbamate
CID 658408
N-[4-(2-oxo-1-pyrrolidinyl)benzyl]-N'-phenylurea
CID 1259714
ethyl 3-benzyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
CID 1484086
3-Benzyl-5-[3-fluoro-4-(4-morpholinyl)benzylidene]-2,4-imidazolidinedione
CID 1725525
Ethyl [3-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetate
CID 2228401
N-(3-methylphenyl)-2-{(4Z)-4-[4-(morpholin-4-yl)benzylidene]-2,5-dioxoimidazolidin-1-yl}acetamide
CID 5807013
2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(4-methylphenyl)carbamate
CID 6100460
(Z)-3-(4-Methylbenzyl)-5-(4-morpholinobenzylidene)imidazolidine-2,4-dione
CID 6370397
N-(4-methylphenyl)-2-[(4E)-4-(4-morpholin-4-ylbenzylidene)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7326499

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate?
The IUPAC name of [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate (CID 102402605) is [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate.
What is the SMILES notation for [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate?
The canonical SMILES for [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate is CC(=O)OC1C(Nc2ccc(C)cc2)NC(=O)N1c1ccc(C)cc1.
What is the InChIKey of [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate?
The InChIKey is SLCSRINNXGPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-4-8-15(9-5-12)20-17-18(25-14(3)23)22(19(24)21-17)16-10-6-13(2)7-11-16/h4-11,17-18,20H,1-3H3,(H,21,24).
What are the key properties of [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate?
[5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate has a molecular weight of 339.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylanilino)-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl] acetate is sourced from PubChem (CID 102402605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).