(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

C21H31N2O+ — CID 8759089

IUPAC(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
SMILESCC1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H30N2O/c1-16-8-6-7-11-20(16)22-21(24)17(2)23-14-12-19(13-15-23)18-9-4-3-5-10-18/h3-5,9-10,12,16-17,20H,6-8,11,13-15H2,1-2H3,(H,22,24)/p+1/t16?,17-,20-/m1/s1
InChIKeyHNOWAFJFCCRVGB-HMEKMZBJSA-O
MW327.49 g/mol
LogP2.44
Rot. Bonds4

About (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide (PubChem CID 8759089) has the molecular formula C21H31N2O+ and a molecular weight of 327.49 g/mol. Its IUPAC name is (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
PubChem CID8759089
Molecular FormulaC21H31N2O+
Molecular Weight327.49 g/mol
Exact Mass327.24
IUPAC Name(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
SMILESCC1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H30N2O/c1-16-8-6-7-11-20(16)22-21(24)17(2)23-14-12-19(13-15-23)18-9-4-3-5-10-18/h3-5,9-10,12,16-17,20H,6-8,11,13-15H2,1-2H3,(H,22,24)/p+1/t16?,17-,20-/m1/s1
InChIKeyHNOWAFJFCCRVGB-HMEKMZBJSA-O
XLogP2.44
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8704526
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748653
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 11932093
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757890
(2R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8966497
(2R)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11943835
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11932566
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
(2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11943813
(2S)-N-(3-chloro-4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495238
(2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11932113

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide (CID 8759089) is (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide is CC1CCCC[C@H]1NC(=O)[C@@H](C)[NH+]1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The InChIKey is HNOWAFJFCCRVGB-HMEKMZBJSA-O. The full InChI is InChI=1S/C21H30N2O/c1-16-8-6-7-11-20(16)22-21(24)17(2)23-14-12-19(13-15-23)18-9-4-3-5-10-18/h3-5,9-10,12,16-17,20H,6-8,11,13-15H2,1-2H3,(H,22,24)/p+1/t16?,17-,20-/m1/s1.
What are the key properties of (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide has a molecular weight of 327.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8759089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).