(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide

C22H27NO2 — CID 166439076

IUPAC(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide
SMILESO=C(Nc1ccccc1)[C@H](Cc1ccccc1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C22H27NO2/c24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25)23-19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,20-21,24H,2,6-7,12-13,16H2,(H,23,25)/t20-,21+/m1/s1
InChIKeyCHKUSLXJELPZBI-RTWAWAEBSA-N
MW337.46 g/mol
LogP4.43
Rot. Bonds6

About (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide

(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide (PubChem CID 166439076) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide
PubChem CID166439076
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide
SMILESO=C(Nc1ccccc1)[C@H](Cc1ccccc1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C22H27NO2/c24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25)23-19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,20-21,24H,2,6-7,12-13,16H2,(H,23,25)/t20-,21+/m1/s1
InChIKeyCHKUSLXJELPZBI-RTWAWAEBSA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
2-(11-bicyclo[7.5.0]tetradecanyl)-N-hydroxy-3-phenylpropanamide
CID 155014131
N-cyclohexyl-N'-phenyloxamide
CID 2271218
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
4-anilino-3-benzyl-4-oxobutanoic acid
CID 2909283

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide?
The IUPAC name of (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide (CID 166439076) is (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide.
What is the SMILES notation for (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide?
The canonical SMILES for (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide is O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[C@@H](O)C1CCCCC1.
What is the InChIKey of (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide?
The InChIKey is CHKUSLXJELPZBI-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H27NO2/c24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25)23-19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,20-21,24H,2,6-7,12-13,16H2,(H,23,25)/t20-,21+/m1/s1.
What are the key properties of (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide?
(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide has a molecular weight of 337.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide is sourced from PubChem (CID 166439076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).