(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide

C23H29NO2 — CID 166439077

IUPAC(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide
SMILESO=C(NCc1ccccc1)[C@H](Cc1ccccc1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C23H29NO2/c25-22(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)23(26)24-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-22,25H,3,8-9,14-17H2,(H,24,26)/t21-,22+/m1/s1
InChIKeyANMXZOUFJSKPGT-YADHBBJMSA-N
MW351.49 g/mol
LogP4.10
Rot. Bonds7

About (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide

(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide (PubChem CID 166439077) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide
PubChem CID166439077
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide
SMILESO=C(NCc1ccccc1)[C@H](Cc1ccccc1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C23H29NO2/c25-22(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)23(26)24-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-22,25H,3,8-9,14-17H2,(H,24,26)/t21-,22+/m1/s1
InChIKeyANMXZOUFJSKPGT-YADHBBJMSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Lyxonamide, 4-((2-((6-amino-1-oxohexyl)amino)-3-methyl-1-oxobutyl)amino)-2,4,5-trideoxy-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-
CID 460227
N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
3-Phenyl-3-phenylacetylamino-propionic acid
CID 3102733
N,N'-(1,3-Phenylenebis(methylene))bis(12-hydroxyoctadecanamide)
CID 18471332
2,N-Dibenzyl-malonamic acid ethyl ester
CID 2836855
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166625728
4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 166625783
N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166634360
(2R,6R)-N,N',2,6-Tetrabenzyl-4-hydroxyheptanediamide
CID 5482935
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methyl-3-phenylpropanamide
CID 5459524
(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 44381941
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 44382028

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide?
The IUPAC name of (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide (CID 166439077) is (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide.
What is the SMILES notation for (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide?
The canonical SMILES for (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide is O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[C@@H](O)C1CCCCC1.
What is the InChIKey of (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide?
The InChIKey is ANMXZOUFJSKPGT-YADHBBJMSA-N. The full InChI is InChI=1S/C23H29NO2/c25-22(20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)23(26)24-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-22,25H,3,8-9,14-17H2,(H,24,26)/t21-,22+/m1/s1.
What are the key properties of (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide?
(2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide has a molecular weight of 351.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dibenzyl-3-cyclohexyl-3-hydroxypropanamide is sourced from PubChem (CID 166439077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).