1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea

C13H20N2O2 — CID 115168976

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C13H20N2O2/c1-9(2)10-6-7-12(17-5)11(8-10)15(4)13(16)14-3/h6-9H,1-5H3,(H,14,16)
InChIKeyUFYJLJOJKRSGPD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea

1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea (PubChem CID 115168976) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea
PubChem CID115168976
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C13H20N2O2/c1-9(2)10-6-7-12(17-5)11(8-10)15(4)13(16)14-3/h6-9H,1-5H3,(H,14,16)
InChIKeyUFYJLJOJKRSGPD-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
methyl 2-(2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)acetate
CID 116857011
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
2-(2-methoxy-5-propan-2-ylphenyl)-N',N'-dimethylpropanehydrazide
CID 116848076
2-amino-3-hydroxy-N-(2-methoxy-4-propan-2-ylphenyl)-N-methylpropanamide
CID 115179737
2-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116847004
1,3-dimethyl-1-(5-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 12769781
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151969
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea (CID 115168976) is 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea is CNC(=O)N(C)c1cc(C(C)C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea?
The InChIKey is UFYJLJOJKRSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)10-6-7-12(17-5)11(8-10)15(4)13(16)14-3/h6-9H,1-5H3,(H,14,16).
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea?
1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea has a molecular weight of 236.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea is sourced from PubChem (CID 115168976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).