1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea

C12H18N2O2 — CID 47135210

IUPAC1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(8-10(9)2)14-12(15)13-6-7-16-3/h4-5,8H,6-7H2,1-3H3,(H2,13,14,15)
InChIKeyIHAPICOIVWKIMZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.07
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea

1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea (PubChem CID 47135210) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
PubChem CID47135210
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(8-10(9)2)14-12(15)13-6-7-16-3/h4-5,8H,6-7H2,1-3H3,(H2,13,14,15)
InChIKeyIHAPICOIVWKIMZ-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

1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133
1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 60591458
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea (CID 47135210) is 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea?
The InChIKey is IHAPICOIVWKIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-11(8-10(9)2)14-12(15)13-6-7-16-3/h4-5,8H,6-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea?
1-(3,4-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-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 47135210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).