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

C11H16N2O2 — CID 115168292

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea
SMILESCOc1c(C)cc(N(C)C(N)=O)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-5-9(13(3)11(12)14)6-8(2)10(7)15-4/h5-6H,1-4H3,(H2,12,14)
InChIKeyHKSDOLAOIWQRRQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.83
Rot. Bonds2

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

1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea (PubChem CID 115168292) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea
PubChem CID115168292
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea
SMILESCOc1c(C)cc(N(C)C(N)=O)cc1C
InChIInChI=1S/C11H16N2O2/c1-7-5-9(13(3)11(12)14)6-8(2)10(7)15-4/h5-6H,1-4H3,(H2,12,14)
InChIKeyHKSDOLAOIWQRRQ-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-3,5-dimethylphenyl)-N-methyl-4-oxopentanamide
CID 115176827
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161460
2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
CID 116924503
methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate
CID 115128406
3-(4-methoxy-N,3,5-trimethylanilino)-3-methylbutanoic acid
CID 117042389
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
CID 115192259
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea (CID 115168292) is 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea is COc1c(C)cc(N(C)C(N)=O)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea?
The InChIKey is HKSDOLAOIWQRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-9(13(3)11(12)14)6-8(2)10(7)15-4/h5-6H,1-4H3,(H2,12,14).
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea?
1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea has a molecular weight of 208.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-1-methylurea is sourced from PubChem (CID 115168292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).