cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

C22H28N2O3 — CID 91835660

IUPACcis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(CCN(Cc2ccccn2)C(=O)[C@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C22H28N2O3/c1-27-21-10-8-17(9-11-21)12-14-24(16-19-6-2-3-13-23-19)22(26)18-5-4-7-20(25)15-18/h2-3,6,8-11,13,18,20,25H,4-5,7,12,14-16H2,1H3/t18-,20+/m0/s1
InChIKeyVLTBUPWPDXFXGP-AZUAARDMSA-N
MW368.48 g/mol
LogP3.21
Rot. Bonds7

About cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 91835660) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID91835660
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namecis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(CCN(Cc2ccccn2)C(=O)[C@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C22H28N2O3/c1-27-21-10-8-17(9-11-21)12-14-24(16-19-6-2-3-13-23-19)22(26)18-5-4-7-20(25)15-18/h2-3,6,8-11,13,18,20,25H,4-5,7,12,14-16H2,1H3/t18-,20+/m0/s1
InChIKeyVLTBUPWPDXFXGP-AZUAARDMSA-N
XLogP3.21
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91789090
trans-(1S,3S)-N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 91777723
3-amino-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119875092
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea
CID 3432695
cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91773233
1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 52992577
2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 74251298

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (CID 91835660) is cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is COc1ccc(CCN(Cc2ccccn2)C(=O)[C@H]2CCC[C@@H](O)C2)cc1.
What is the InChIKey of cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is VLTBUPWPDXFXGP-AZUAARDMSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-21-10-8-17(9-11-21)12-14-24(16-19-6-2-3-13-23-19)22(26)18-5-4-7-20(25)15-18/h2-3,6,8-11,13,18,20,25H,4-5,7,12,14-16H2,1H3/t18-,20+/m0/s1.
What are the key properties of cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91835660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).