3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea

C16H18N2O3 — CID 26576

IUPAC3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea
SMILESCOc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)
InChIKeyAMVYOVYGIJXTQB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.58
Rot. Bonds4

About 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea

3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea (PubChem CID 26576) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea
PubChem CID26576
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea
SMILESCOc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)
InChIKeyAMVYOVYGIJXTQB-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea (CID 26576) is 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea is COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea?
The InChIKey is AMVYOVYGIJXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19).
What are the key properties of 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea?
3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea has a molecular weight of 286.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 26576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).