1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea

C23H24N2O4 — CID 112824759

IUPAC1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
SMILESCOc1ccccc1C(O)CNC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-7-11-18(12-8-16)29-19-13-9-17(10-14-19)25-23(27)24-15-21(26)20-5-3-4-6-22(20)28-2/h3-14,21,26H,15H2,1-2H3,(H2,24,25,27)
InChIKeyWHJGWELRYNJUFV-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.65
Rot. Bonds7

About 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea

1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea (PubChem CID 112824759) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
PubChem CID112824759
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
SMILESCOc1ccccc1C(O)CNC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-16-7-11-18(12-8-16)29-19-13-9-17(10-14-19)25-23(27)24-15-21(26)20-5-3-4-6-22(20)28-2/h3-14,21,26H,15H2,1-2H3,(H2,24,25,27)
InChIKeyWHJGWELRYNJUFV-UHFFFAOYSA-N
XLogP4.65
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 46445537
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 47033484
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 38283759
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 51940999
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(4-tert-butylphenyl)-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598283
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea (CID 112824759) is 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea is COc1ccccc1C(O)CNC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea?
The InChIKey is WHJGWELRYNJUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-7-11-18(12-8-16)29-19-13-9-17(10-14-19)25-23(27)24-15-21(26)20-5-3-4-6-22(20)28-2/h3-14,21,26H,15H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea?
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea has a molecular weight of 392.46 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea is sourced from PubChem (CID 112824759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).