1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea

C12H18N2O2 — CID 47194755

IUPAC1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-6-10(2)8-11(7-9)14-12(15)13-4-5-16-3/h6-8H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyTXQFGMOLLSIKIE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.07
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea

1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea (PubChem CID 47194755) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
PubChem CID47194755
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-6-10(2)8-11(7-9)14-12(15)13-4-5-16-3/h6-8H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyTXQFGMOLLSIKIE-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
CID 108943141
1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 60591458
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
CID 127566183
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971083
1-[2-(3-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971202
1-but-3-ynyl-3-(3,5-dimethylphenyl)urea
CID 90537971
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea (CID 47194755) is 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea?
The InChIKey is TXQFGMOLLSIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-10(2)8-11(7-9)14-12(15)13-4-5-16-3/h6-8H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea?
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47194755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).