(2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile

C22H26N2O — CID 135004233

IUPAC(2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile
SMILESN#C[C@H](N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H26N2O/c23-16-20(17-10-4-1-5-11-17)24-21(18-12-6-2-7-13-18)22(25)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-22,24-25H,1,4-5,10-11H2/t20-,21+,22-/m0/s1
InChIKeyQHNJOOSIQDGWJW-BDTNDASRSA-N
MW334.46 g/mol
LogP4.52
Rot. Bonds6

About (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile

(2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile (PubChem CID 135004233) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile
PubChem CID135004233
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile
SMILESN#C[C@H](N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H26N2O/c23-16-20(17-10-4-1-5-11-17)24-21(18-12-6-2-7-13-18)22(25)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-22,24-25H,1,4-5,10-11H2/t20-,21+,22-/m0/s1
InChIKeyQHNJOOSIQDGWJW-BDTNDASRSA-N
XLogP4.52
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile?
The IUPAC name of (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile (CID 135004233) is (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile?
The canonical SMILES for (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile is N#C[C@H](N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile?
The InChIKey is QHNJOOSIQDGWJW-BDTNDASRSA-N. The full InChI is InChI=1S/C22H26N2O/c23-16-20(17-10-4-1-5-11-17)24-21(18-12-6-2-7-13-18)22(25)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-22,24-25H,1,4-5,10-11H2/t20-,21+,22-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile?
(2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile has a molecular weight of 334.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile is sourced from PubChem (CID 135004233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).