1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea

C20H26N2O3 — CID 934870

IUPAC1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2C)cc1OCC
InChIInChI=1S/C20H26N2O3/c1-4-24-18-11-10-16(14-19(18)25-5-2)12-13-21-20(23)22-17-9-7-6-8-15(17)3/h6-11,14H,4-5,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyFGXCVWFMYUKVRG-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.16
Rot. Bonds8

About 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 934870) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
PubChem CID934870
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
SMILESCCOc1ccc(CCNC(=O)Nc2ccccc2C)cc1OCC
InChIInChI=1S/C20H26N2O3/c1-4-24-18-11-10-16(14-19(18)25-5-2)12-13-21-20(23)22-17-9-7-6-8-15(17)3/h6-11,14H,4-5,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyFGXCVWFMYUKVRG-UHFFFAOYSA-N
XLogP4.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea (CID 934870) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea is CCOc1ccc(CCNC(=O)Nc2ccccc2C)cc1OCC.
What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is FGXCVWFMYUKVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-24-18-11-10-16(14-19(18)25-5-2)12-13-21-20(23)22-17-9-7-6-8-15(17)3/h6-11,14H,4-5,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea?
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 342.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 934870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).