1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea

C17H26N2O3 — CID 95968425

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-22-16-10-6-5-9-15(16)19-17(21)18-14(12-20)11-13-7-3-2-4-8-13/h2-4,7-8,14-16,20H,5-6,9-12H2,1H3,(H2,18,19,21)/t14-,15-,16-/m0/s1
InChIKeyCAFNKTHINKOAQG-JYJNAYRXSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds6

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea (PubChem CID 95968425) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
PubChem CID95968425
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
SMILESCO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-22-16-10-6-5-9-15(16)19-17(21)18-14(12-20)11-13-7-3-2-4-8-13/h2-4,7-8,14-16,20H,5-6,9-12H2,1H3,(H2,18,19,21)/t14-,15-,16-/m0/s1
InChIKeyCAFNKTHINKOAQG-JYJNAYRXSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea with MolForge

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566707
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566708
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129435365
1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 110900882
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111508924
2-(cyclopentylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107860961
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
2-cyclohexyloxy-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109388009

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea (CID 95968425) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea is CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea?
The InChIKey is CAFNKTHINKOAQG-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-22-16-10-6-5-9-15(16)19-17(21)18-14(12-20)11-13-7-3-2-4-8-13/h2-4,7-8,14-16,20H,5-6,9-12H2,1H3,(H2,18,19,21)/t14-,15-,16-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea has a molecular weight of 306.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea is sourced from PubChem (CID 95968425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).