1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea

C17H20N2O3 — CID 2207277

IUPAC1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C17H20N2O3/c1-21-15-8-5-7-14(12-15)19-17(20)18-11-10-13-6-3-4-9-16(13)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMUXPBCHOUXMGHS-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.07
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea

1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 2207277) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID2207277
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C17H20N2O3/c1-21-15-8-5-7-14(12-15)19-17(20)18-11-10-13-6-3-4-9-16(13)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMUXPBCHOUXMGHS-UHFFFAOYSA-N
XLogP3.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea (CID 2207277) is 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea is COc1cccc(NC(=O)NCCc2ccccc2OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is MUXPBCHOUXMGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-8-5-7-14(12-15)19-17(20)18-11-10-13-6-3-4-9-16(13)22-2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 2207277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).