1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea

C19H24N2O2 — CID 111452788

IUPAC1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCc1cccc(C)c1NC(=O)NCC(CCO)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-7-6-8-15(2)18(14)21-19(23)20-13-17(11-12-22)16-9-4-3-5-10-16/h3-10,17,22H,11-13H2,1-2H3,(H2,20,21,23)
InChIKeyAGNPTEIABJJFRE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.59
Rot. Bonds6

About 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea

1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea (PubChem CID 111452788) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
PubChem CID111452788
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCc1cccc(C)c1NC(=O)NCC(CCO)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-7-6-8-15(2)18(14)21-19(23)20-13-17(11-12-22)16-9-4-3-5-10-16/h3-10,17,22H,11-13H2,1-2H3,(H2,20,21,23)
InChIKeyAGNPTEIABJJFRE-UHFFFAOYSA-N
XLogP3.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
CID 111450045
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453141
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 94822914
1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
1-[4-(cyanomethyl)phenyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452903
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450680
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111454908

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea (CID 111452788) is 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea is Cc1cccc(C)c1NC(=O)NCC(CCO)c1ccccc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The InChIKey is AGNPTEIABJJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-6-8-15(2)18(14)21-19(23)20-13-17(11-12-22)16-9-4-3-5-10-16/h3-10,17,22H,11-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea is sourced from PubChem (CID 111452788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).