1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea

C18H28N2O2 — CID 111455932

IUPAC1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
SMILESCN(C(=O)NCC(CCO)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-20(17-10-6-3-7-11-17)18(22)19-14-16(12-13-21)15-8-4-2-5-9-15/h2,4-5,8-9,16-17,21H,3,6-7,10-14H2,1H3,(H,19,22)
InChIKeyWJUPSYPYEYMWPM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.13
Rot. Bonds6

About 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea

1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea (PubChem CID 111455932) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
PubChem CID111455932
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
SMILESCN(C(=O)NCC(CCO)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-20(17-10-6-3-7-11-17)18(22)19-14-16(12-13-21)15-8-4-2-5-9-15/h2,4-5,8-9,16-17,21H,3,6-7,10-14H2,1H3,(H,19,22)
InChIKeyWJUPSYPYEYMWPM-UHFFFAOYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111506748
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
1-butan-2-yl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455889
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
CID 60597856
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
3-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62669199
2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea (CID 111455932) is 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea is CN(C(=O)NCC(CCO)c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
The InChIKey is WJUPSYPYEYMWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20(17-10-6-3-7-11-17)18(22)19-14-16(12-13-21)15-8-4-2-5-9-15/h2,4-5,8-9,16-17,21H,3,6-7,10-14H2,1H3,(H,19,22).
What are the key properties of 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea has a molecular weight of 304.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea is sourced from PubChem (CID 111455932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).