1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

C18H22N2O3 — CID 111116787

IUPAC1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H22N2O3/c1-12-6-4-7-13(2)17(12)20-18(22)19-11-16(21)14-8-5-9-15(10-14)23-3/h4-10,16,21H,11H2,1-3H3,(H2,19,20,22)
InChIKeyVVAHVYQCPYARRY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.17
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (PubChem CID 111116787) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
PubChem CID111116787
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H22N2O3/c1-12-6-4-7-13(2)17(12)20-18(22)19-11-16(21)14-8-5-9-15(10-14)23-3/h4-10,16,21H,11H2,1-3H3,(H2,19,20,22)
InChIKeyVVAHVYQCPYARRY-UHFFFAOYSA-N
XLogP3.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116760
1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116768
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75691217
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115244
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 111483054

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (CID 111116787) is 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is COc1cccc(C(O)CNC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is VVAHVYQCPYARRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-6-4-7-13(2)17(12)20-18(22)19-11-16(21)14-8-5-9-15(10-14)23-3/h4-10,16,21H,11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111116787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).