1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea

C11H16N2O2 — CID 115168877

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)c(OC)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-6-10(15-4)8(2)5-9(7)13-11(14)12-3/h5-6H,1-4H3,(H2,12,13,14)
InChIKeyVAKJUUITAWSIHF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.06
Rot. Bonds2

About 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea

1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea (PubChem CID 115168877) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
PubChem CID115168877
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)c(OC)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-6-10(15-4)8(2)5-9(7)13-11(14)12-3/h5-6H,1-4H3,(H2,12,13,14)
InChIKeyVAKJUUITAWSIHF-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
CID 126789448
2-amino-3-(4-methoxy-2,5-dimethylanilino)-3-oxopropanoic acid
CID 115179087
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
CID 18006545
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
CID 115168935
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea (CID 115168877) is 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea is CNC(=O)Nc1cc(C)c(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea?
The InChIKey is VAKJUUITAWSIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-6-10(15-4)8(2)5-9(7)13-11(14)12-3/h5-6H,1-4H3,(H2,12,13,14).
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea?
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea has a molecular weight of 208.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea is sourced from PubChem (CID 115168877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).