1-[3-(2-hydroxypropyl)phenyl]-1-methylurea

C11H16N2O2 — CID 117297751

IUPAC1-[3-(2-hydroxypropyl)phenyl]-1-methylurea
SMILESCC(O)Cc1cccc(N(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-8(14)6-9-4-3-5-10(7-9)13(2)11(12)15/h3-5,7-8,14H,6H2,1-2H3,(H2,12,15)
InChIKeyMYAQIYSUUNNPSH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.12
Rot. Bonds3

About 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea

1-[3-(2-hydroxypropyl)phenyl]-1-methylurea (PubChem CID 117297751) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[3-(2-hydroxypropyl)phenyl]-1-methylurea
PubChem CID117297751
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[3-(2-hydroxypropyl)phenyl]-1-methylurea
SMILESCC(O)Cc1cccc(N(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O2/c1-8(14)6-9-4-3-5-10(7-9)13(2)11(12)15/h3-5,7-8,14H,6H2,1-2H3,(H2,12,15)
InChIKeyMYAQIYSUUNNPSH-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-amino-2-methylpropyl)phenyl]-1-methylurea
CID 117316808
3-[3-[carbamoyl(methyl)amino]phenyl]-2,2-dimethylpropanoic acid
CID 117379207
1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297750
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
(2S)-2-amino-3-[3-(dimethylamino)phenyl]propanoic acid;dihydrochloride
CID 22950701
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
N-[3-(2,2-dimethylpropyl)phenyl]-N,2-dimethylpropanamide
CID 59836578
oxalic acid;1-phenylpropan-2-ol
CID 162336088

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea?
The IUPAC name of 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea (CID 117297751) is 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea is CC(O)Cc1cccc(N(C)C(N)=O)c1.
What is the InChIKey of 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea?
The InChIKey is MYAQIYSUUNNPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)6-9-4-3-5-10(7-9)13(2)11(12)15/h3-5,7-8,14H,6H2,1-2H3,(H2,12,15).
What are the key properties of 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea?
1-[3-(2-hydroxypropyl)phenyl]-1-methylurea has a molecular weight of 208.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropyl)phenyl]-1-methylurea is sourced from PubChem (CID 117297751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).