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

C25H32N2O3 — CID 22643487

IUPACN-(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
InChIInChI=1S/C25H32N2O3/c1-17-4-6-19(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/h4-9,11-12,20,22-23,25,28H,10,13-16H2,1-3H3
InChIKeyDMVSCANOXDFDJT-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.17
Rot. Bonds6

About N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-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 22643487) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 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-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID22643487
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-(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
InChIInChI=1S/C25H32N2O3/c1-17-4-6-19(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/h4-9,11-12,20,22-23,25,28H,10,13-16H2,1-3H3
InChIKeyDMVSCANOXDFDJT-UHFFFAOYSA-N
XLogP3.17
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 22643487) is 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-(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-(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.
What is the InChIKey of N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)-2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DMVSCANOXDFDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17-4-6-19(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/h4-9,11-12,20,22-23,25,28H,10,13-16H2,1-3H3.
What are the key properties of N-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-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 408.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 22643487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).