3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea

C17H26N2O2 — CID 72849512

IUPAC3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
SMILESCc1cccc(NC(=O)N(C)CCC2CCOCC2)c1C
InChIInChI=1S/C17H26N2O2/c1-13-5-4-6-16(14(13)2)18-17(20)19(3)10-7-15-8-11-21-12-9-15/h4-6,15H,7-12H2,1-3H3,(H,18,20)
InChIKeyFJGNEUOFVYEFKW-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.58
Rot. Bonds4

About 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea

3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea (PubChem CID 72849512) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
PubChem CID72849512
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
SMILESCc1cccc(NC(=O)N(C)CCC2CCOCC2)c1C
InChIInChI=1S/C17H26N2O2/c1-13-5-4-6-16(14(13)2)18-17(20)19(3)10-7-15-8-11-21-12-9-15/h4-6,15H,7-12H2,1-3H3,(H,18,20)
InChIKeyFJGNEUOFVYEFKW-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.58
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
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 72885539
1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
CID 111754137
4-[[methyl-[2-(oxan-4-yl)ethyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027689
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
3-(2,3-dimethylphenyl)-1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 72863703

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea?
The IUPAC name of 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea (CID 72849512) is 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea is Cc1cccc(NC(=O)N(C)CCC2CCOCC2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea?
The InChIKey is FJGNEUOFVYEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-4-6-16(14(13)2)18-17(20)19(3)10-7-15-8-11-21-12-9-15/h4-6,15H,7-12H2,1-3H3,(H,18,20).
What are the key properties of 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea?
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea has a molecular weight of 290.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 72849512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).