carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate

C23H25CrNO6 — CID 11762347

IUPACcarbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)C(Nc1ccccc1)c1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C20H25NO3.3CO.Cr/c1-5-24-19(22)20(2,3)18(21-15-11-7-6-8-12-15)16-13-9-10-14-17(16)23-4;3*1-2;/h6-14,18,21H,5H2,1-4H3;;;;
InChIKeyJLOMVBGPPOYXQZ-UHFFFAOYSA-N
MW463.45 g/mol
LogP4.32
Rot. Bonds7

About carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate

carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate (PubChem CID 11762347) has the molecular formula C23H25CrNO6 and a molecular weight of 463.45 g/mol. Its IUPAC name is carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namecarbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate
PubChem CID11762347
Molecular FormulaC23H25CrNO6
Molecular Weight463.45 g/mol
Exact Mass463.11
IUPAC Namecarbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)C(Nc1ccccc1)c1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C20H25NO3.3CO.Cr/c1-5-24-19(22)20(2,3)18(21-15-11-7-6-8-12-15)16-13-9-10-14-17(16)23-4;3*1-2;/h6-14,18,21H,5H2,1-4H3;;;;
InChIKeyJLOMVBGPPOYXQZ-UHFFFAOYSA-N
XLogP4.32
TPSA107.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3R)-3-anilino-2-hydroxy-2-methyl-3-phenylpropanoate
CID 102168134
methyl (3S)-3-anilino-3-(2-fluorophenyl)-2,2-dimethylpropanoate
CID 102255570
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62396996
ethyl 2-fluoro-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 139665562
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
CID 12543528
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate?
The IUPAC name of carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate (CID 11762347) is carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)C(Nc1ccccc1)c1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate?
The InChIKey is JLOMVBGPPOYXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3.3CO.Cr/c1-5-24-19(22)20(2,3)18(21-15-11-7-6-8-12-15)16-13-9-10-14-17(16)23-4;3*1-2;/h6-14,18,21H,5H2,1-4H3;;;;.
What are the key properties of carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate?
carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate has a molecular weight of 463.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;ethyl 3-anilino-3-(2-methoxyphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 11762347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).