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

C23H27N5O6 — CID 3316950

IUPACmethyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C23H27N5O6/c1-23(2)20(28(33)21(31)25-16-10-6-4-7-11-16)27(17-12-8-5-9-13-17)22(32)26(23)15-18(29)24-14-19(30)34-3/h4-13,20,33H,14-15H2,1-3H3,(H,24,29)(H,25,31)
InChIKeyZTJYVXFXSNSMOZ-UHFFFAOYSA-N
MW469.50 g/mol
LogP2.25
Rot. Bonds7

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

methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate (PubChem CID 3316950) has the molecular formula C23H27N5O6 and a molecular weight of 469.50 g/mol. Its IUPAC name is methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
PubChem CID3316950
Molecular FormulaC23H27N5O6
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Namemethyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C
InChIInChI=1S/C23H27N5O6/c1-23(2)20(28(33)21(31)25-16-10-6-4-7-11-16)27(17-12-8-5-9-13-17)22(32)26(23)15-18(29)24-14-19(30)34-3/h4-13,20,33H,14-15H2,1-3H3,(H,24,29)(H,25,31)
InChIKeyZTJYVXFXSNSMOZ-UHFFFAOYSA-N
XLogP2.25
TPSA131.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate (CID 3316950) is methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate is COC(=O)CNC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C.
What is the InChIKey of methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate?
The InChIKey is ZTJYVXFXSNSMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6/c1-23(2)20(28(33)21(31)25-16-10-6-4-7-11-16)27(17-12-8-5-9-13-17)22(32)26(23)15-18(29)24-14-19(30)34-3/h4-13,20,33H,14-15H2,1-3H3,(H,24,29)(H,25,31).
What are the key properties of methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate?
methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate has a molecular weight of 469.50 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 3316950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).