3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea

C19H24N2O3 — CID 71801534

IUPAC3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccco2)C2CCOCC2)cc1C
InChIInChI=1S/C19H24N2O3/c1-14-5-6-16(12-15(14)2)20-19(22)21(13-18-4-3-9-24-18)17-7-10-23-11-8-17/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,20,22)
InChIKeyUUAKCDKOCGSZQK-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.11
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea

3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea (PubChem CID 71801534) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
PubChem CID71801534
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccco2)C2CCOCC2)cc1C
InChIInChI=1S/C19H24N2O3/c1-14-5-6-16(12-15(14)2)20-19(22)21(13-18-4-3-9-24-18)17-7-10-23-11-8-17/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,20,22)
InChIKeyUUAKCDKOCGSZQK-UHFFFAOYSA-N
XLogP4.11
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908019
1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908002
1-cyclopropyl-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-(furan-2-ylmethyl)urea
CID 71895896
N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 34218671
1-cyclopentyl-1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51105727
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide
CID 121131308
3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
1-(furan-2-ylmethyl)-3-(4-methyl-3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60577323
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3379104
[4-[[(3,4-dimethylphenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate
CID 4643429

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea (CID 71801534) is 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea is Cc1ccc(NC(=O)N(Cc2ccco2)C2CCOCC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea?
The InChIKey is UUAKCDKOCGSZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-5-6-16(12-15(14)2)20-19(22)21(13-18-4-3-9-24-18)17-7-10-23-11-8-17/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea?
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea has a molecular weight of 328.41 g/mol, XLogP of 4.11, 4 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-(furan-2-ylmethyl)-1-(oxan-4-yl)urea is sourced from PubChem (CID 71801534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).