3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

C17H22N2O3 — CID 90582837

IUPAC3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2O3/c1-13-8-14(2)10-16(9-13)18-17(20)19(5-7-21-3)11-15-4-6-22-12-15/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,18,20)
InChIKeyJYHWFAHMDNWWPJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.58
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 90582837) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID90582837
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H22N2O3/c1-13-8-14(2)10-16(9-13)18-17(20)19(5-7-21-3)11-15-4-6-22-12-15/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,18,20)
InChIKeyJYHWFAHMDNWWPJ-UHFFFAOYSA-N
XLogP3.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582835
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582843
3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085266
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
CID 71804034
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 73167845
2,5-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582703
2,4-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582704
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 90582750
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 71803992
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 90582669
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71803965

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (CID 90582837) is 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccoc1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is JYHWFAHMDNWWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-8-14(2)10-16(9-13)18-17(20)19(5-7-21-3)11-15-4-6-22-12-15/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 302.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 90582837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).