methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate

C21H24N4O5 — CID 658583

IUPACmethyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C21H24N4O5/c1-21(2)18(25(29)19(27)22-15-10-6-4-7-11-15)24(16-12-8-5-9-13-16)20(28)23(21)14-17(26)30-3/h4-13,18,29H,14H2,1-3H3,(H,22,27)
InChIKeyDOOWTBWLAJPLCO-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.13
Rot. Bonds5

About methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate

methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate (PubChem CID 658583) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate
PubChem CID658583
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Namemethyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C21H24N4O5/c1-21(2)18(25(29)19(27)22-15-10-6-4-7-11-15)24(16-12-8-5-9-13-16)20(28)23(21)14-17(26)30-3/h4-13,18,29H,14H2,1-3H3,(H,22,27)
InChIKeyDOOWTBWLAJPLCO-UHFFFAOYSA-N
XLogP3.13
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate (CID 658583) is methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate is COC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C.
What is the InChIKey of methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate?
The InChIKey is DOOWTBWLAJPLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-21(2)18(25(29)19(27)22-15-10-6-4-7-11-15)24(16-12-8-5-9-13-16)20(28)23(21)14-17(26)30-3/h4-13,18,29H,14H2,1-3H3,(H,22,27).
What are the key properties of methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate?
methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate has a molecular weight of 412.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 658583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).