1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea

C19H24N2O3 — CID 111452697

IUPAC1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCC(CCO)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-14-8-9-18(24-2)17(12-14)21-19(23)20-13-16(10-11-22)15-6-4-3-5-7-15/h3-9,12,16,22H,10-11,13H2,1-2H3,(H2,20,21,23)
InChIKeyVVSRAUUZUJLNJY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.29
Rot. Bonds7

About 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea

1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 111452697) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID111452697
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCC(CCO)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-14-8-9-18(24-2)17(12-14)21-19(23)20-13-16(10-11-22)15-6-4-3-5-7-15/h3-9,12,16,22H,10-11,13H2,1-2H3,(H2,20,21,23)
InChIKeyVVSRAUUZUJLNJY-UHFFFAOYSA-N
XLogP3.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219720
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219817
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea (CID 111452697) is 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NCC(CCO)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is VVSRAUUZUJLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-8-9-18(24-2)17(12-14)21-19(23)20-13-16(10-11-22)15-6-4-3-5-7-15/h3-9,12,16,22H,10-11,13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea?
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 111452697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).