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

C16H24N2O2 — CID 40541623

IUPAC1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
SMILESC[C@H](NC(=O)NC1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-12(15(19)13-8-4-2-5-9-13)17-16(20)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,19H,3,6-7,10-11H2,1H3,(H2,17,18,20)/t12-,15-/m0/s1
InChIKeyAISBVDASGJAQPS-WFASDCNBSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds4

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

1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea (PubChem CID 40541623) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
PubChem CID40541623
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
SMILESC[C@H](NC(=O)NC1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-12(15(19)13-8-4-2-5-9-13)17-16(20)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,19H,3,6-7,10-11H2,1H3,(H2,17,18,20)/t12-,15-/m0/s1
InChIKeyAISBVDASGJAQPS-WFASDCNBSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 100744634
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
CID 94192179

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea (CID 40541623) is 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea is C[C@H](NC(=O)NC1CCCCC1)[C@H](O)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea?
The InChIKey is AISBVDASGJAQPS-WFASDCNBSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(15(19)13-8-4-2-5-9-13)17-16(20)18-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,19H,3,6-7,10-11H2,1H3,(H2,17,18,20)/t12-,15-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea?
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea is sourced from PubChem (CID 40541623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).