[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate

C35H34N2O6 — CID 89121058

About [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate (PubChem CID 89121058) has the molecular formula C35H34N2O6 and a molecular weight of 578.67 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate.

Molecular Properties

• Compound Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
• PubChem CID: 89121058
• Molecular Formula: C35H34N2O6
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.24
• IUPAC Name: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
• SMILES: C/C=C/c1ccc(OC(=O)Nc2ccc(Cc3ccc(NC(=O)Oc4ccc(/C=C/C)cc4OC)cc3)cc2)c(OC)c1
• InChI: InChI=1S/C35H34N2O6/c1-5-7-24-13-19-30(32(22-24)40-3)42-34(38)36-28-15-9-26(10-16-28)21-27-11-17-29(18-12-27)37-35(39)43-31-20-14-25(8-6-2)23-33(31)41-4/h5-20,22-23H,21H2,1-4H3,(H,36,38)(H,37,39)/b7-5+,8-6+
• InChIKey: QPBFMWJNWCCIIW-KQQUZDAGSA-N
• XLogP: 8.58
• TPSA: 95.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate?

The IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate (CID 89121058) is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate.

What is the SMILES notation for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate?

The canonical SMILES for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate is C/C=C/c1ccc(OC(=O)Nc2ccc(Cc3ccc(NC(=O)Oc4ccc(/C=C/C)cc4OC)cc3)cc2)c(OC)c1.

What is the InChIKey of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate?

The InChIKey is QPBFMWJNWCCIIW-KQQUZDAGSA-N. The full InChI is InChI=1S/C35H34N2O6/c1-5-7-24-13-19-30(32(22-24)40-3)42-34(38)36-28-15-9-26(10-16-28)21-27-11-17-29(18-12-27)37-35(39)43-31-20-14-25(8-6-2)23-33(31)41-4/h5-20,22-23H,21H2,1-4H3,(H,36,38)(H,37,39)/b7-5+,8-6+.

What are the key properties of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate?

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate has a molecular weight of 578.67 g/mol, XLogP of 8.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 89121058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).