3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide

C25H32N2O — CID 2056963

IUPAC3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
SMILESCc1cc(C)cc(C(=O)N(CCc2ccccc2)C2C[C@H]3CC[C@H](C2)N3C)c1
InChIInChI=1S/C25H32N2O/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3/h4-8,13-15,22-24H,9-12,16-17H2,1-3H3/t22-,23-/m1/s1
InChIKeyPYLSWXYTNIMYDR-DHIUTWEWSA-N
MW376.54 g/mol
LogP4.61
Rot. Bonds5

About 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide

3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide (PubChem CID 2056963) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
PubChem CID2056963
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
SMILESCc1cc(C)cc(C(=O)N(CCc2ccccc2)C2C[C@H]3CC[C@H](C2)N3C)c1
InChIInChI=1S/C25H32N2O/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3/h4-8,13-15,22-24H,9-12,16-17H2,1-3H3/t22-,23-/m1/s1
InChIKeyPYLSWXYTNIMYDR-DHIUTWEWSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide (CID 2056963) is 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide is Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2C[C@H]3CC[C@H](C2)N3C)c1.
What is the InChIKey of 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is PYLSWXYTNIMYDR-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H32N2O/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3/h4-8,13-15,22-24H,9-12,16-17H2,1-3H3/t22-,23-/m1/s1.
What are the key properties of 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide?
3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 376.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 2056963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).