N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

C51H66N4O5 — CID 69480948

IUPACN-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2C(O)CC3CCC2N3C)cc1.COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C26H34N2O2.C25H32N2O3/c1-20-6-8-22(9-7-20)19-28(24-14-16-27(17-15-24)23-4-3-5-23)26(29)18-21-10-12-25(30-2)13-11-21;1-17-4-6-19(7-5-17)16-27(24(29)14-18-8-11-21(30-3)12-9-18)25-22-13-10-20(26(22)2)15-23(25)28/h6-13,23-24H,3-5,14-19H2,1-2H3;4-9,11-12,20,22-23,25,28H,10,13-16H2,1-3H3
InChIKeyMLYUSMNEWCZLGV-UHFFFAOYSA-N
MW815.11 g/mol
LogP7.76
Rot. Bonds13

About N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide

N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 69480948) has the molecular formula C51H66N4O5 and a molecular weight of 815.11 g/mol. Its IUPAC name is N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID69480948
Molecular FormulaC51H66N4O5
Molecular Weight815.11 g/mol
Exact Mass814.50
IUPAC NameN-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2C(O)CC3CCC2N3C)cc1.COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C26H34N2O2.C25H32N2O3/c1-20-6-8-22(9-7-20)19-28(24-14-16-27(17-15-24)23-4-3-5-23)26(29)18-21-10-12-25(30-2)13-11-21;1-17-4-6-19(7-5-17)16-27(24(29)14-18-8-11-21(30-3)12-9-18)25-22-13-10-20(26(22)2)15-23(25)28/h6-13,23-24H,3-5,14-19H2,1-2H3;4-9,11-12,20,22-23,25,28H,10,13-16H2,1-3H3
InChIKeyMLYUSMNEWCZLGV-UHFFFAOYSA-N
XLogP7.76
TPSA85.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.11
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 69480948) is N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2C(O)CC3CCC2N3C)cc1.COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MLYUSMNEWCZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2.C25H32N2O3/c1-20-6-8-22(9-7-20)19-28(24-14-16-27(17-15-24)23-4-3-5-23)26(29)18-21-10-12-25(30-2)13-11-21;1-17-4-6-19(7-5-17)16-27(24(29)14-18-8-11-21(30-3)12-9-18)25-22-13-10-20(26(22)2)15-23(25)28/h6-13,23-24H,3-5,14-19H2,1-2H3;4-9,11-12,20,22-23,25,28H,10,13-16H2,1-3H3.
What are the key properties of N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 815.11 g/mol, XLogP of 7.76, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpiperidin-4-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 69480948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).