2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate

C24H28N5O6- — CID 7147940

IUPAC2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate
SMILESCc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(C)cc3)C(=O)N(CC(=O)NCC(=O)[O-])C2(C)C)cc1
InChIInChI=1S/C24H29N5O6/c1-15-5-9-17(10-6-15)26-22(33)29(35)21-24(3,4)27(14-19(30)25-13-20(31)32)23(34)28(21)18-11-7-16(2)8-12-18/h5-12,21,35H,13-14H2,1-4H3,(H,25,30)(H,26,33)(H,31,32)/p-1/t21-/m1/s1
InChIKeyQMIBUDMONSNNEM-OAQYLSRUSA-M
MW482.52 g/mol
LogP1.44
Rot. Bonds7

About 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate

2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate (PubChem CID 7147940) has the molecular formula C24H28N5O6- and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate
PubChem CID7147940
Molecular FormulaC24H28N5O6-
Molecular Weight482.52 g/mol
Exact Mass482.20
IUPAC Name2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate
SMILESCc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(C)cc3)C(=O)N(CC(=O)NCC(=O)[O-])C2(C)C)cc1
InChIInChI=1S/C24H29N5O6/c1-15-5-9-17(10-6-15)26-22(33)29(35)21-24(3,4)27(14-19(30)25-13-20(31)32)23(34)28(21)18-11-7-16(2)8-12-18/h5-12,21,35H,13-14H2,1-4H3,(H,25,30)(H,26,33)(H,31,32)/p-1/t21-/m1/s1
InChIKeyQMIBUDMONSNNEM-OAQYLSRUSA-M
XLogP1.44
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.44
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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Related Compounds

1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-propylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3761126
1-[1-butyl-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 5191444
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3797999
methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
CID 3316950
1-[5,5-dimethyl-3-(4-methylphenyl)-1-octyl-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3265467
N-[(4-chlorophenyl)methylideneamino]-2-[4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3999658
1-[(4S)-1-(2-hydrazinyl-2-oxoethyl)-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7340170
ethyl 2-[(4S)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetate
CID 6990477
2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(E)-[(E)-3-(5-methylfuran-2-yl)prop-2-enylidene]amino]acetamide
CID 134140577
1-[(4S)-5,5-dimethyl-1-(3-methylbutyl)-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 1400769
(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate
CID 7308462
2-[3-(3,4-dichlorophenyl)-4-[(3,4-dichlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethylideneamino)acetamide
CID 2829484

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
The IUPAC name of 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate (CID 7147940) is 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
The canonical SMILES for 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate is Cc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(C)cc3)C(=O)N(CC(=O)NCC(=O)[O-])C2(C)C)cc1.
What is the InChIKey of 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
The InChIKey is QMIBUDMONSNNEM-OAQYLSRUSA-M. The full InChI is InChI=1S/C24H29N5O6/c1-15-5-9-17(10-6-15)26-22(33)29(35)21-24(3,4)27(14-19(30)25-13-20(31)32)23(34)28(21)18-11-7-16(2)8-12-18/h5-12,21,35H,13-14H2,1-4H3,(H,25,30)(H,26,33)(H,31,32)/p-1/t21-/m1/s1.
What are the key properties of 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate has a molecular weight of 482.52 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4R)-4-[hydroxy-[(4-methylphenyl)carbamoyl]amino]-5,5-dimethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 7147940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).