3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

C15H22N2O2 — CID 110875836

IUPAC3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCc1cc(C)cc(NC(=O)N(C)CC2CCOC2)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-12(2)8-14(7-11)16-15(18)17(3)9-13-4-5-19-10-13/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyWNTPOVZXVWHSRE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.80
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 110875836) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID110875836
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCc1cc(C)cc(NC(=O)N(C)CC2CCOC2)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-12(2)8-14(7-11)16-15(18)17(3)9-13-4-5-19-10-13/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyWNTPOVZXVWHSRE-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-(3,5-dimethylphenyl)-1-(1,3-dioxolan-2-ylmethyl)-1-methylurea
CID 3864495
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914988
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97061195
1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230
3-[5-[(3,5-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 166568162

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 110875836) is 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is Cc1cc(C)cc(NC(=O)N(C)CC2CCOC2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is WNTPOVZXVWHSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-12(2)8-14(7-11)16-15(18)17(3)9-13-4-5-19-10-13/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18).
What are the key properties of 3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-(3,5-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-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 110875836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).