1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea

C18H28N2O3 — CID 95631505

IUPAC1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1
InChIInChI=1S/C18H28N2O3/c1-14(13-23-2)19-18(22)20(16-9-4-3-5-10-16)12-15-8-6-7-11-17(15)21/h6-8,11,14,16,21H,3-5,9-10,12-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyCXHOFDQCXXIHDM-CQSZACIVSA-N
MW320.43 g/mol
LogP3.27
Rot. Bonds6

About 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea

1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea (PubChem CID 95631505) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
PubChem CID95631505
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1
InChIInChI=1S/C18H28N2O3/c1-14(13-23-2)19-18(22)20(16-9-4-3-5-10-16)12-15-8-6-7-11-17(15)21/h6-8,11,14,16,21H,3-5,9-10,12-13H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyCXHOFDQCXXIHDM-CQSZACIVSA-N
XLogP3.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
CID 158739786
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97224479
1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
CID 47034829
1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95772645
N-(1-cyclohexylethyl)-2-(2-hydroxyphenyl)acetamide
CID 79039260
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
CID 86999284
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 97320644
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95635907

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea (CID 95631505) is 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea is COC[C@@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The InChIKey is CXHOFDQCXXIHDM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(13-23-2)19-18(22)20(16-9-4-3-5-10-16)12-15-8-6-7-11-17(15)21/h6-8,11,14,16,21H,3-5,9-10,12-13H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea has a molecular weight of 320.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 95631505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).