1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea

C20H26N2O3 — CID 75691217

IUPAC1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOc1ccc(C(O)CNC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-13(2)17-7-5-6-14(3)19(17)22-20(24)21-12-18(23)15-8-10-16(25-4)11-9-15/h5-11,13,18,23H,12H2,1-4H3,(H2,21,22,24)
InChIKeyXGLSEBNGQIXHLI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.98
Rot. Bonds6

About 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 75691217) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID75691217
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOc1ccc(C(O)CNC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-13(2)17-7-5-6-14(3)19(17)22-20(24)21-12-18(23)15-8-10-16(25-4)11-9-15/h5-11,13,18,23H,12H2,1-4H3,(H2,21,22,24)
InChIKeyXGLSEBNGQIXHLI-UHFFFAOYSA-N
XLogP3.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.98
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-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
CID 108888749
1-(2-methyl-6-propan-2-ylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880470
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 86987050
1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 94822914
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 75691217) is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea is COc1ccc(C(O)CNC(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is XGLSEBNGQIXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)17-7-5-6-14(3)19(17)22-20(24)21-12-18(23)15-8-10-16(25-4)11-9-15/h5-11,13,18,23H,12H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 75691217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).