3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea

C20H22N2O3 — CID 3245519

IUPAC3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1C
InChIInChI=1S/C20H22N2O3/c1-14-8-9-17(12-15(14)2)21-20(23)22(13-18-6-4-10-24-18)16(3)19-7-5-11-25-19/h4-12,16H,13H2,1-3H3,(H,21,23)
InChIKeyQOJCROIHINAYBT-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.28
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea

3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea (PubChem CID 3245519) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
PubChem CID3245519
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1C
InChIInChI=1S/C20H22N2O3/c1-14-8-9-17(12-15(14)2)21-20(23)22(13-18-6-4-10-24-18)16(3)19-7-5-11-25-19/h4-12,16H,13H2,1-3H3,(H,21,23)
InChIKeyQOJCROIHINAYBT-UHFFFAOYSA-N
XLogP5.28
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea (CID 3245519) is 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea is Cc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is QOJCROIHINAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-8-9-17(12-15(14)2)21-20(23)22(13-18-6-4-10-24-18)16(3)19-7-5-11-25-19/h4-12,16H,13H2,1-3H3,(H,21,23).
What are the key properties of 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea?
3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 338.41 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 3245519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).