3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea

C16H24N2O2 — CID 91905258

IUPAC3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCc1cccc(C)c1NC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-12-5-4-6-13(2)15(12)17-16(19)18(3)11-14-7-9-20-10-8-14/h4-6,14H,7-11H2,1-3H3,(H,17,19)
InChIKeyTVRYJJPQBWFVNG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.19
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea

3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea (PubChem CID 91905258) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
PubChem CID91905258
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCc1cccc(C)c1NC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-12-5-4-6-13(2)15(12)17-16(19)18(3)11-14-7-9-20-10-8-14/h4-6,14H,7-11H2,1-3H3,(H,17,19)
InChIKeyTVRYJJPQBWFVNG-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
CID 72849512
N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide
CID 91914999
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 107112201
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914988
1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea (CID 91905258) is 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea is Cc1cccc(C)c1NC(=O)N(C)CC1CCOCC1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is TVRYJJPQBWFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-4-6-13(2)15(12)17-16(19)18(3)11-14-7-9-20-10-8-14/h4-6,14H,7-11H2,1-3H3,(H,17,19).
What are the key properties of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 91905258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).