3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea

C20H28N2O3 — CID 3242378

IUPAC3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea
SMILESCCOc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccco2)cc1
InChIInChI=1S/C20H28N2O3/c1-5-24-18-10-8-17(9-11-18)21-20(23)22(13-12-15(2)3)16(4)19-7-6-14-25-19/h6-11,14-16H,5,12-13H2,1-4H3,(H,21,23)
InChIKeyJWZAZRZNUZJJHL-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.32
Rot. Bonds8

About 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea

3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea (PubChem CID 3242378) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea
PubChem CID3242378
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea
SMILESCCOc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccco2)cc1
InChIInChI=1S/C20H28N2O3/c1-5-24-18-10-8-17(9-11-18)21-20(23)22(13-12-15(2)3)16(4)19-7-6-14-25-19/h6-11,14-16H,5,12-13H2,1-4H3,(H,21,23)
InChIKeyJWZAZRZNUZJJHL-UHFFFAOYSA-N
XLogP5.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea (CID 3242378) is 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea is CCOc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccco2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea?
The InChIKey is JWZAZRZNUZJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-24-18-10-8-17(9-11-18)21-20(23)22(13-12-15(2)3)16(4)19-7-6-14-25-19/h6-11,14-16H,5,12-13H2,1-4H3,(H,21,23).
What are the key properties of 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea?
3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea has a molecular weight of 344.46 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-[1-(furan-2-yl)ethyl]-1-(3-methylbutyl)urea is sourced from PubChem (CID 3242378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).