cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide

C22H27NO3 — CID 159352897

IUPACcis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide
SMILESO=C(N[C@@H](CO)[C@@H](O)c1ccccc1)[C@@H]1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H27NO3/c24-15-20(21(25)17-10-5-2-6-11-17)23-22(26)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-6,8-11,18-21,24-25H,7,12-15H2,(H,23,26)/t18-,19+,20-,21-/m0/s1
InChIKeyLHOABRORZBJNIX-WOZUAGRISA-N
MW353.46 g/mol
LogP3.17
Rot. Bonds6

About cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide

cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide (PubChem CID 159352897) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide
PubChem CID159352897
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Namecis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide
SMILESO=C(N[C@@H](CO)[C@@H](O)c1ccccc1)[C@@H]1CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H27NO3/c24-15-20(21(25)17-10-5-2-6-11-17)23-22(26)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-6,8-11,18-21,24-25H,7,12-15H2,(H,23,26)/t18-,19+,20-,21-/m0/s1
InChIKeyLHOABRORZBJNIX-WOZUAGRISA-N
XLogP3.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 140659220
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]cyclohexanecarboxamide
CID 54852807
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride
CID 172835008
2-chloro-1-[(1S,3R)-3-phenylcyclohexyl]ethanone
CID 164769658
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide
CID 140659217
3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]propanamide
CID 72940889
(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide
CID 163548102
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide (CID 159352897) is cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide is O=C(N[C@@H](CO)[C@@H](O)c1ccccc1)[C@@H]1CCC[C@H](c2ccccc2)C1.
What is the InChIKey of cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide?
The InChIKey is LHOABRORZBJNIX-WOZUAGRISA-N. The full InChI is InChI=1S/C22H27NO3/c24-15-20(21(25)17-10-5-2-6-11-17)23-22(26)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-6,8-11,18-21,24-25H,7,12-15H2,(H,23,26)/t18-,19+,20-,21-/m0/s1.
What are the key properties of cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide?
cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 159352897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).