methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate

C26H28N2O6 — CID 11408656

IUPACmethyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NCc2ccc(CNc3cc(C(=O)OC)ccc3OC)cc2)c1
InChIInChI=1S/C26H28N2O6/c1-31-23-11-9-19(25(29)33-3)13-21(23)27-15-17-5-7-18(8-6-17)16-28-22-14-20(26(30)34-4)10-12-24(22)32-2/h5-14,27-28H,15-16H2,1-4H3
InChIKeyXBHUELIZXZCQEH-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.50
Rot. Bonds10

About methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate

methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate (PubChem CID 11408656) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate
PubChem CID11408656
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Namemethyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NCc2ccc(CNc3cc(C(=O)OC)ccc3OC)cc2)c1
InChIInChI=1S/C26H28N2O6/c1-31-23-11-9-19(25(29)33-3)13-21(23)27-15-17-5-7-18(8-6-17)16-28-22-14-20(26(30)34-4)10-12-24(22)32-2/h5-14,27-28H,15-16H2,1-4H3
InChIKeyXBHUELIZXZCQEH-UHFFFAOYSA-N
XLogP4.50
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate?
The IUPAC name of methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate (CID 11408656) is methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate is COC(=O)c1ccc(OC)c(NCc2ccc(CNc3cc(C(=O)OC)ccc3OC)cc2)c1.
What is the InChIKey of methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate?
The InChIKey is XBHUELIZXZCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-31-23-11-9-19(25(29)33-3)13-21(23)27-15-17-5-7-18(8-6-17)16-28-22-14-20(26(30)34-4)10-12-24(22)32-2/h5-14,27-28H,15-16H2,1-4H3.
What are the key properties of methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate?
methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate has a molecular weight of 464.52 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[[4-[(2-methoxy-5-methoxycarbonylanilino)methyl]phenyl]methylamino]benzoate is sourced from PubChem (CID 11408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).