N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride

C27H35ClN2O2 — CID 174297892

IUPACN-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride
SMILESCN(C(=O)C(O)(c1ccccc1)C1CCCCC1)C1=CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C27H34N2O2.ClH/c1-28(25-17-19-29(20-18-25)21-22-11-5-2-6-12-22)26(30)27(31,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-3,5-8,11-14,17,24,31H,4,9-10,15-16,18-21H2,1H3;1H
InChIKeyKZVWQKXIYYMZCR-UHFFFAOYSA-N
MW455.04 g/mol
LogP5.12
Rot. Bonds6

About N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride

N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride (PubChem CID 174297892) has the molecular formula C27H35ClN2O2 and a molecular weight of 455.04 g/mol. Its IUPAC name is N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride
PubChem CID174297892
Molecular FormulaC27H35ClN2O2
Molecular Weight455.04 g/mol
Exact Mass454.24
IUPAC NameN-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride
SMILESCN(C(=O)C(O)(c1ccccc1)C1CCCCC1)C1=CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C27H34N2O2.ClH/c1-28(25-17-19-29(20-18-25)21-22-11-5-2-6-12-22)26(30)27(31,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-3,5-8,11-14,17,24,31H,4,9-10,15-16,18-21H2,1H3;1H
InChIKeyKZVWQKXIYYMZCR-UHFFFAOYSA-N
XLogP5.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.04
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride with MolForge

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Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 11697139
(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 11582875
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 16718273
[3-(pyrrolidin-1-ylmethyl)phenyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70594500
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]propanamide
CID 10050623
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-(4-phenoxyphenyl)acetamide
CID 11755574
(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 11532129
N-[1-(cyclopenten-1-ylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 18922005
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride?
The IUPAC name of N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride (CID 174297892) is N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride is CN(C(=O)C(O)(c1ccccc1)C1CCCCC1)C1=CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride?
The InChIKey is KZVWQKXIYYMZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2.ClH/c1-28(25-17-19-29(20-18-25)21-22-11-5-2-6-12-22)26(30)27(31,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-3,5-8,11-14,17,24,31H,4,9-10,15-16,18-21H2,1H3;1H.
What are the key properties of N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride?
N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride has a molecular weight of 455.04 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 174297892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).