methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate

C24H31NO5Te — CID 139265210

IUPACmethyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)c1ccc([Te]CCCCOc2ccccc2)cc1
InChIInChI=1S/C24H31NO5Te/c1-28-23(26)14-16-25(17-15-24(27)29-2)20-10-12-22(13-11-20)31-19-7-6-18-30-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3
InChIKeyUTPVVFFQSCACRM-UHFFFAOYSA-N
MW541.11 g/mol
LogP3.23
Rot. Bonds14

About methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate

methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate (PubChem CID 139265210) has the molecular formula C24H31NO5Te and a molecular weight of 541.11 g/mol. Its IUPAC name is methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate
PubChem CID139265210
Molecular FormulaC24H31NO5Te
Molecular Weight541.11 g/mol
Exact Mass543.13
IUPAC Namemethyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)c1ccc([Te]CCCCOc2ccccc2)cc1
InChIInChI=1S/C24H31NO5Te/c1-28-23(26)14-16-25(17-15-24(27)29-2)20-10-12-22(13-11-20)31-19-7-6-18-30-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3
InChIKeyUTPVVFFQSCACRM-UHFFFAOYSA-N
XLogP3.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.11
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[N-(3-hydroperoxy-3-oxopropyl)-4-(3-phenoxypropyltellanyl)anilino]propaneperoxoic acid
CID 139265215
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
methyl 3-[chlorosulfanyl(3-phenoxypropyl)amino]propanoate
CID 54562134
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
methyl 3-(4-hydroxyphenyl)propanoate;methyl 3-[4-(4-phenoxybutoxy)phenyl]propanoate
CID 67685934
phenyl 5-phenoxypentanoate
CID 54534861
methyl 11-(4-phenyldiazenylphenoxy)undecanoate
CID 151541407
methyl 3-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-phenylethoxy)anilino]propanoate
CID 142651252
methyl 5-[[N,N'-dimethyl-N-(2-phenoxyethyl)carbamimidoyl]amino]pentanoate;hydroiodide
CID 111273542
methyl 3-hydroxy-7-phenoxyheptanoate
CID 18767528
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767

Frequently Asked Questions

What is the IUPAC name of methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate?
The IUPAC name of methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate (CID 139265210) is methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate.
What is the SMILES notation for methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate?
The canonical SMILES for methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate is COC(=O)CCN(CCC(=O)OC)c1ccc([Te]CCCCOc2ccccc2)cc1.
What is the InChIKey of methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate?
The InChIKey is UTPVVFFQSCACRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5Te/c1-28-23(26)14-16-25(17-15-24(27)29-2)20-10-12-22(13-11-20)31-19-7-6-18-30-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3.
What are the key properties of methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate?
methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate has a molecular weight of 541.11 g/mol, XLogP of 3.23, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[N-(3-methoxy-3-oxopropyl)-4-(4-phenoxybutyltellanyl)anilino]propanoate is sourced from PubChem (CID 139265210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).