methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate

C23H25Cl2N5O6 — CID 3838067

IUPACmethyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1C(=O)N(c2ccc(Cl)cc2)C(N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C23H25Cl2N5O6/c1-23(2)20(30(35)21(33)27-16-8-4-14(24)5-9-16)29(17-10-6-15(25)7-11-17)22(34)28(23)13-18(31)26-12-19(32)36-3/h4-11,20,35H,12-13H2,1-3H3,(H,26,31)(H,27,33)
InChIKeyDCMRQASXAKJPNE-UHFFFAOYSA-N
MW538.39 g/mol
LogP3.55
Rot. Bonds7

About methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate

methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate (PubChem CID 3838067) has the molecular formula C23H25Cl2N5O6 and a molecular weight of 538.39 g/mol. Its IUPAC name is methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate
PubChem CID3838067
Molecular FormulaC23H25Cl2N5O6
Molecular Weight538.39 g/mol
Exact Mass537.12
IUPAC Namemethyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1C(=O)N(c2ccc(Cl)cc2)C(N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C
InChIInChI=1S/C23H25Cl2N5O6/c1-23(2)20(30(35)21(33)27-16-8-4-14(24)5-9-16)29(17-10-6-15(25)7-11-17)22(34)28(23)13-18(31)26-12-19(32)36-3/h4-11,20,35H,12-13H2,1-3H3,(H,26,31)(H,27,33)
InChIKeyDCMRQASXAKJPNE-UHFFFAOYSA-N
XLogP3.55
TPSA131.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.39
LogP ≤ 53.55
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-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate (CID 3838067) is methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate is COC(=O)CNC(=O)CN1C(=O)N(c2ccc(Cl)cc2)C(N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C.
What is the InChIKey of methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
The InChIKey is DCMRQASXAKJPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O6/c1-23(2)20(30(35)21(33)27-16-8-4-14(24)5-9-16)29(17-10-6-15(25)7-11-17)22(34)28(23)13-18(31)26-12-19(32)36-3/h4-11,20,35H,12-13H2,1-3H3,(H,26,31)(H,27,33).
What are the key properties of methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate?
methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate has a molecular weight of 538.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 3838067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).