1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea

C17H28N2O — CID 129089188

IUPAC1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
SMILESCCCCC(CC)CNC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H28N2O/c1-5-7-10-15(6-2)12-18-17(20)19-16-11-8-9-13(3)14(16)4/h8-9,11,15H,5-7,10,12H2,1-4H3,(H2,18,19,20)
InChIKeyARKRBUDAERVDCF-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.64
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea

1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea (PubChem CID 129089188) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
PubChem CID129089188
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
SMILESCCCCC(CC)CNC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C17H28N2O/c1-5-7-10-15(6-2)12-18-17(20)19-16-11-8-9-13(3)14(16)4/h8-9,11,15H,5-7,10,12H2,1-4H3,(H2,18,19,20)
InChIKeyARKRBUDAERVDCF-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea
CID 58918481
1-[(2R)-2-ethylhexyl]-3-[3-[[(2R)-2-ethylhexyl]carbamoylamino]-4-methylphenyl]urea
CID 101499424
(2S,7S)-7-ethyl-N-(2-methylphenyl)-2-pentylundecanamide
CID 92692901
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192
[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl] cyanate
CID 154593824
2-amino-N-(2-ethylhexyl)-6-methylbenzamide
CID 107819599
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
1-(2-ethylhex-5-enyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea
CID 102416260
N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
CID 55027033
1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
CID 75864935
ethyl 3-[[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]carbamoylamino]butanoate
CID 58918485

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea (CID 129089188) is 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea is CCCCC(CC)CNC(=O)Nc1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea?
The InChIKey is ARKRBUDAERVDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-10-15(6-2)12-18-17(20)19-16-11-8-9-13(3)14(16)4/h8-9,11,15H,5-7,10,12H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea?
1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea has a molecular weight of 276.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea is sourced from PubChem (CID 129089188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).