methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate

C21H24N2O6 — CID 6462731

IUPACmethyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)COc2ccc(OC)cc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O6/c1-26-16-4-6-17(7-5-16)29-14-20(24)22-15-3-8-19(18(13-15)21(25)27-2)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyXIICYKWGPPXDHD-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.34
Rot. Bonds7

About methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate

methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate (PubChem CID 6462731) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
PubChem CID6462731
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Namemethyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)COc2ccc(OC)cc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24N2O6/c1-26-16-4-6-17(7-5-16)29-14-20(24)22-15-3-8-19(18(13-15)21(25)27-2)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyXIICYKWGPPXDHD-UHFFFAOYSA-N
XLogP2.34
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate (CID 6462731) is methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NC(=O)COc2ccc(OC)cc2)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
The InChIKey is XIICYKWGPPXDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-26-16-4-6-17(7-5-16)29-14-20(24)22-15-3-8-19(18(13-15)21(25)27-2)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate?
methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate has a molecular weight of 400.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-methoxyphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 6462731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).