1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea

C20H26N2O3 — CID 111453271

IUPAC1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCCOc1ccc(NC(=O)NC(CCCO)c2ccccc2)cc1C
InChIInChI=1S/C20H26N2O3/c1-3-25-19-12-11-17(14-15(19)2)21-20(24)22-18(10-7-13-23)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,18,23H,3,7,10,13H2,1-2H3,(H2,21,22,24)
InChIKeyQAQHGBKMSYWPCL-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.03
Rot. Bonds8

About 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111453271) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111453271
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCCOc1ccc(NC(=O)NC(CCCO)c2ccccc2)cc1C
InChIInChI=1S/C20H26N2O3/c1-3-25-19-12-11-17(14-15(19)2)21-20(24)22-18(10-7-13-23)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,18,23H,3,7,10,13H2,1-2H3,(H2,21,22,24)
InChIKeyQAQHGBKMSYWPCL-UHFFFAOYSA-N
XLogP4.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103703
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
1-(4-hydroxy-1-phenylbutyl)-3-(2-methoxy-6-methylpyrimidin-4-yl)urea
CID 154759643
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111453271) is 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea is CCOc1ccc(NC(=O)NC(CCCO)c2ccccc2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is QAQHGBKMSYWPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-25-19-12-11-17(14-15(19)2)21-20(24)22-18(10-7-13-23)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,18,23H,3,7,10,13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 342.44 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111453271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).