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

C15H22N2O2 — CID 110875844

IUPAC3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCc1cccc(C)c1NC(=O)N(C)CC1CCOC1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)14(11)16-15(18)17(3)9-13-7-8-19-10-13/h4-6,13H,7-10H2,1-3H3,(H,16,18)
InChIKeyYVSZGWXSUABSBD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.80
Rot. Bonds3

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

3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 110875844) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID110875844
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCc1cccc(C)c1NC(=O)N(C)CC1CCOC1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)14(11)16-15(18)17(3)9-13-7-8-19-10-13/h4-6,13H,7-10H2,1-3H3,(H,16,18)
InChIKeyYVSZGWXSUABSBD-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836
3-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-1-methyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 97221527
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97061195
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
CID 72849512
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754
3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742039
N,1,3,7-tetramethyl-N-[[(3R)-oxolan-3-yl]methyl]indole-2-carboxamide
CID 126424749

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 110875844) is 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is Cc1cccc(C)c1NC(=O)N(C)CC1CCOC1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is YVSZGWXSUABSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)14(11)16-15(18)17(3)9-13-7-8-19-10-13/h4-6,13H,7-10H2,1-3H3,(H,16,18).
What are the key properties of 3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 262.35 g/mol, XLogP of 2.80, 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-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 110875844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).