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

C22H24N2O — CID 121325031

IUPAC(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(C#N)cc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c1-16(22(25)24-21-13-7-17(15-23)8-14-21)18-9-11-20(12-10-18)19-5-3-2-4-6-19/h2-8,13-14,16,18,20H,9-12H2,1H3,(H,24,25)/t16-,18?,20?/m1/s1
InChIKeyLRZZYVRRXOODFO-PPDQVPDSSA-N
MW332.45 g/mol
LogP5.11
Rot. Bonds4

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

(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide (PubChem CID 121325031) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
PubChem CID121325031
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(C#N)cc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c1-16(22(25)24-21-13-7-17(15-23)8-14-21)18-9-11-20(12-10-18)19-5-3-2-4-6-19/h2-8,13-14,16,18,20H,9-12H2,1H3,(H,24,25)/t16-,18?,20?/m1/s1
InChIKeyLRZZYVRRXOODFO-PPDQVPDSSA-N
XLogP5.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325032
(2R)-N-(4-cyanophenyl)-2-(1-hydroxy-4-phenylcyclohexyl)propanamide
CID 138502801
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
(2S)-2-[4-[4-[[5-(4-cyanoanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]propanoic acid
CID 68681989
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
2-cyclopropyl-N-[4-(methylaminomethyl)phenyl]propanamide
CID 106909989
N-(4-cyanophenyl)-2-[(1R,3S)-3-phenylcyclopentyl]acetamide
CID 121324973
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
CID 6422377
(2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654178

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide (CID 121325031) is (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide is C[C@@H](C(=O)Nc1ccc(C#N)cc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide?
The InChIKey is LRZZYVRRXOODFO-PPDQVPDSSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16(22(25)24-21-13-7-17(15-23)8-14-21)18-9-11-20(12-10-18)19-5-3-2-4-6-19/h2-8,13-14,16,18,20H,9-12H2,1H3,(H,24,25)/t16-,18?,20?/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide?
(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide has a molecular weight of 332.45 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide is sourced from PubChem (CID 121325031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).