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1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea

C24H26N4O4 — CID 1243878

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(NC(=O)NCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-21-10-6-17(7-11-21)15-25-23(29)27-19-4-3-5-20(14-19)28-24(30)26-16-18-8-12-22(32-2)13-9-18/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyOREVQXHCLJXQNI-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.35
Rot. Bonds8

About 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea

1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea (PubChem CID 1243878) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
PubChem CID1243878
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(NC(=O)NCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H26N4O4/c1-31-21-10-6-17(7-11-21)15-25-23(29)27-19-4-3-5-20(14-19)28-24(30)26-16-18-8-12-22(32-2)13-9-18/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyOREVQXHCLJXQNI-UHFFFAOYSA-N
XLogP4.35
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea (CID 1243878) is 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea is COc1ccc(CNC(=O)Nc2cccc(NC(=O)NCc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea?
The InChIKey is OREVQXHCLJXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-21-10-6-17(7-11-21)15-25-23(29)27-19-4-3-5-20(14-19)28-24(30)26-16-18-8-12-22(32-2)13-9-18/h3-14H,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea has a molecular weight of 434.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea is sourced from PubChem (CID 1243878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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