1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

C20H26N2O3 — CID 111116768

IUPAC1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)16-10-5-6-11-17(16)22-19(24)21-13-18(23)14-8-7-9-15(12-14)25-4/h5-12,18,23H,13H2,1-4H3,(H2,21,22,24)
InChIKeyLBQBWXPPUMRYAO-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (PubChem CID 111116768) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
PubChem CID111116768
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)16-10-5-6-11-17(16)22-19(24)21-13-18(23)14-8-7-9-15(12-14)25-4/h5-12,18,23H,13H2,1-4H3,(H2,21,22,24)
InChIKeyLBQBWXPPUMRYAO-UHFFFAOYSA-N
XLogP3.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
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-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 111483054
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51102231
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
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
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (CID 111116768) is 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is COc1cccc(C(O)CNC(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is LBQBWXPPUMRYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,3)16-10-5-6-11-17(16)22-19(24)21-13-18(23)14-8-7-9-15(12-14)25-4/h5-12,18,23H,13H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111116768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).