3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea

C14H20N2O3 — CID 3864495

IUPAC3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
SMILESCc1cc(C)cc(NC(=O)N(C)CC2OCCO2)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-11(2)8-12(7-10)15-14(17)16(3)9-13-18-4-5-19-13/h6-8,13H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyAUYRTDHTGJTWTC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.14
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea

3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea (PubChem CID 3864495) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
PubChem CID3864495
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
SMILESCc1cc(C)cc(NC(=O)N(C)CC2OCCO2)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-11(2)8-12(7-10)15-14(17)16(3)9-13-18-4-5-19-13/h6-8,13H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyAUYRTDHTGJTWTC-UHFFFAOYSA-N
XLogP2.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836
3-(4-chlorophenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
CID 3723720
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
1-(2-cyanoethyl)-3-(3,5-dimethylphenyl)-1-(oxolan-2-ylmethyl)urea
CID 3305018
3-(3,5-dichlorophenyl)-1-methyl-1-(morpholin-2-ylmethyl)urea
CID 107654250
3-(4-bromo-2,6-dimethylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51108212
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-3-(3-methylphenyl)urea
CID 51179251
3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
3-(3-acetylphenyl)-1-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylurea
CID 125176934
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea (CID 3864495) is 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea is Cc1cc(C)cc(NC(=O)N(C)CC2OCCO2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea?
The InChIKey is AUYRTDHTGJTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-11(2)8-12(7-10)15-14(17)16(3)9-13-18-4-5-19-13/h6-8,13H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of 3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea?
3-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea has a molecular weight of 264.32 g/mol, XLogP of 2.14, 3 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-(1,3-dioxolan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 3864495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).