copper bis(2-(4-methoxyanilino)-2-oxoacetate)

C18H16CuN2O8 — CID 52913680

IUPACcopper bis(2-(4-methoxyanilino)-2-oxoacetate)
SMILESCOc1ccc(NC(=O)C(=O)[O-])cc1.COc1ccc(NC(=O)C(=O)[O-])cc1.[Cu+2]
InChIInChI=1S/2C9H9NO4.Cu/c2*1-14-7-4-2-6(3-5-7)10-8(11)9(12)13;/h2*2-5H,1H3,(H,10,11)(H,12,13);/q;;+2/p-2
InChIKeyDDXNXOJVBJRLDR-UHFFFAOYSA-L
MW451.88 g/mol
LogP-1.24
Rot. Bonds4

About copper bis(2-(4-methoxyanilino)-2-oxoacetate)

copper bis(2-(4-methoxyanilino)-2-oxoacetate) (PubChem CID 52913680) has the molecular formula C18H16CuN2O8 and a molecular weight of 451.88 g/mol. Its IUPAC name is copper bis(2-(4-methoxyanilino)-2-oxoacetate).

Molecular Properties

Compound Namecopper bis(2-(4-methoxyanilino)-2-oxoacetate)
PubChem CID52913680
Molecular FormulaC18H16CuN2O8
Molecular Weight451.88 g/mol
Exact Mass451.02
IUPAC Namecopper bis(2-(4-methoxyanilino)-2-oxoacetate)
SMILESCOc1ccc(NC(=O)C(=O)[O-])cc1.COc1ccc(NC(=O)C(=O)[O-])cc1.[Cu+2]
InChIInChI=1S/2C9H9NO4.Cu/c2*1-14-7-4-2-6(3-5-7)10-8(11)9(12)13;/h2*2-5H,1H3,(H,10,11)(H,12,13);/q;;+2/p-2
InChIKeyDDXNXOJVBJRLDR-UHFFFAOYSA-L
XLogP-1.24
TPSA156.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
CID 6424832
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide
CID 138969517
N'-(4-methoxyphenyl)-N-prop-2-enyloxamide
CID 3102348
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483
potassium 2-anilino-2-oxoacetate
CID 23690423

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(4-methoxyanilino)-2-oxoacetate)?
The IUPAC name of copper bis(2-(4-methoxyanilino)-2-oxoacetate) (CID 52913680) is copper bis(2-(4-methoxyanilino)-2-oxoacetate).
What is the SMILES notation for copper bis(2-(4-methoxyanilino)-2-oxoacetate)?
The canonical SMILES for copper bis(2-(4-methoxyanilino)-2-oxoacetate) is COc1ccc(NC(=O)C(=O)[O-])cc1.COc1ccc(NC(=O)C(=O)[O-])cc1.[Cu+2].
What is the InChIKey of copper bis(2-(4-methoxyanilino)-2-oxoacetate)?
The InChIKey is DDXNXOJVBJRLDR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H9NO4.Cu/c2*1-14-7-4-2-6(3-5-7)10-8(11)9(12)13;/h2*2-5H,1H3,(H,10,11)(H,12,13);/q;;+2/p-2.
What are the key properties of copper bis(2-(4-methoxyanilino)-2-oxoacetate)?
copper bis(2-(4-methoxyanilino)-2-oxoacetate) has a molecular weight of 451.88 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(4-methoxyanilino)-2-oxoacetate) is sourced from PubChem (CID 52913680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).