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

C22H19N3O3 — CID 60591596

IUPAC1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-19-8-4-17(5-9-19)15-24-22(26)25-18-6-12-21(13-7-18)28-20-10-2-16(14-23)3-11-20/h2-13H,15H2,1H3,(H2,24,25,26)
InChIKeyQMJCTKJPJSRCCW-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.68
Rot. Bonds6

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

1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 60591596) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID60591596
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-19-8-4-17(5-9-19)15-24-22(26)25-18-6-12-21(13-7-18)28-20-10-2-16(14-23)3-11-20/h2-13H,15H2,1H3,(H2,24,25,26)
InChIKeyQMJCTKJPJSRCCW-UHFFFAOYSA-N
XLogP4.68
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-N'-(4-cyanophenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976395
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
CID 158179575
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-[4-(4-cyanophenoxy)phenyl]urea
CID 71247406
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 56675716
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 60591596) is 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is QMJCTKJPJSRCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-19-8-4-17(5-9-19)15-24-22(26)25-18-6-12-21(13-7-18)28-20-10-2-16(14-23)3-11-20/h2-13H,15H2,1H3,(H2,24,25,26).
What are the key properties of 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 373.41 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 60591596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).