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

C11H16N2O2 — CID 110675983

IUPAC1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C11H16N2O2/c1-8-4-5-9(2)10(6-8)13-11(14)12-7-15-3/h4-6H,7H2,1-3H3,(H2,12,13,14)
InChIKeyXXGDZBAANRAGKS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.03
Rot. Bonds3

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

1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea (PubChem CID 110675983) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
PubChem CID110675983
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C11H16N2O2/c1-8-4-5-9(2)10(6-8)13-11(14)12-7-15-3/h4-6H,7H2,1-3H3,(H2,12,13,14)
InChIKeyXXGDZBAANRAGKS-UHFFFAOYSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 52768914
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea (CID 110675983) is 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea is COCNC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea?
The InChIKey is XXGDZBAANRAGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-4-5-9(2)10(6-8)13-11(14)12-7-15-3/h4-6H,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea?
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea has a molecular weight of 208.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea is sourced from PubChem (CID 110675983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).