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

C20H21N3O2 — CID 121084809

IUPAC3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1cc(C)cc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1
InChIInChI=1S/C20H21N3O2/c1-15-10-16(2)12-18(11-15)22-20(24)23(14-19-7-5-9-25-19)13-17-6-3-4-8-21-17/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyHUYWHVPSHRLETH-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.53
Rot. Bonds5

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

3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 121084809) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID121084809
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
SMILESCc1cc(C)cc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1
InChIInChI=1S/C20H21N3O2/c1-15-10-16(2)12-18(11-15)22-20(24)23(14-19-7-5-9-25-19)13-17-6-3-4-8-21-17/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyHUYWHVPSHRLETH-UHFFFAOYSA-N
XLogP4.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 17387836
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084805
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 4118039
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
2-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91833759
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
1-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 52906824
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea (CID 121084809) is 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea is Cc1cc(C)cc(NC(=O)N(Cc2ccccn2)Cc2ccco2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is HUYWHVPSHRLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-10-16(2)12-18(11-15)22-20(24)23(14-19-7-5-9-25-19)13-17-6-3-4-8-21-17/h3-12H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 335.41 g/mol, XLogP of 4.53, 5 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-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 121084809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).