(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide

C22H28N2O — CID 162028451

IUPAC(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)C2CCC(c3ccnc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-15-4-10-21(11-5-15)24-22(25)17(3)18-6-8-19(9-7-18)20-12-13-23-16(2)14-20/h4-5,10-14,17-19H,6-9H2,1-3H3,(H,24,25)/t17-,18?,19?/m1/s1
InChIKeyYVRVLFOGRACTQB-LMDPOFIKSA-N
MW336.48 g/mol
LogP5.25
Rot. Bonds4

About (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide

(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide (PubChem CID 162028451) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide
PubChem CID162028451
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)C2CCC(c3ccnc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-15-4-10-21(11-5-15)24-22(25)17(3)18-6-8-19(9-7-18)20-12-13-23-16(2)14-20/h4-5,10-14,17-19H,6-9H2,1-3H3,(H,24,25)/t17-,18?,19?/m1/s1
InChIKeyYVRVLFOGRACTQB-LMDPOFIKSA-N
XLogP5.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid
CID 121318759
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 121318744
1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethanamine
CID 121318842
N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide
CID 138490234
N-(4-fluorophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325032
1-(4-chlorophenyl)-3-cyano-2-[1-[4-(2-methyl-4-pyridinyl)cyclohexyl]ethyl]guanidine
CID 139338314
N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 138490241
N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325031
2-cyclopropyl-N-[4-(methylaminomethyl)phenyl]propanamide
CID 106909989

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide (CID 162028451) is (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide is Cc1ccc(NC(=O)[C@H](C)C2CCC(c3ccnc(C)c3)CC2)cc1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide?
The InChIKey is YVRVLFOGRACTQB-LMDPOFIKSA-N. The full InChI is InChI=1S/C22H28N2O/c1-15-4-10-21(11-5-15)24-22(25)17(3)18-6-8-19(9-7-18)20-12-13-23-16(2)14-20/h4-5,10-14,17-19H,6-9H2,1-3H3,(H,24,25)/t17-,18?,19?/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide?
(2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanamide is sourced from PubChem (CID 162028451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).