(2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide

C22H24N2O2 — CID 138502801

IUPAC(2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(C#N)cc1)C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c1-16(21(25)24-20-9-7-17(15-23)8-10-20)22(26)13-11-19(12-14-22)18-5-3-2-4-6-18/h2-10,16,19,26H,11-14H2,1H3,(H,24,25)/t16-,19?,22?/m0/s1
InChIKeyMWLMSBHBLQLCDE-XQQGARBVSA-N
MW348.45 g/mol
LogP4.22
Rot. Bonds4

About (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide

(2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide (PubChem CID 138502801) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide
PubChem CID138502801
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(C#N)cc1)C1(O)CCC(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c1-16(21(25)24-20-9-7-17(15-23)8-10-20)22(26)13-11-19(12-14-22)18-5-3-2-4-6-18/h2-10,16,19,26H,11-14H2,1H3,(H,24,25)/t16-,19?,22?/m0/s1
InChIKeyMWLMSBHBLQLCDE-XQQGARBVSA-N
XLogP4.22
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325031
N-(4-cyanophenyl)-2-[(1R,3S)-3-phenylcyclopentyl]acetamide
CID 121324973
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
(2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654178
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
N-(4-fluorophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325032

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide (CID 138502801) is (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide is C[C@@H](C(=O)Nc1ccc(C#N)cc1)C1(O)CCC(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
The InChIKey is MWLMSBHBLQLCDE-XQQGARBVSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16(21(25)24-20-9-7-17(15-23)8-10-20)22(26)13-11-19(12-14-22)18-5-3-2-4-6-18/h2-10,16,19,26H,11-14H2,1H3,(H,24,25)/t16-,19?,22?/m0/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide?
(2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide is sourced from PubChem (CID 138502801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).