N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide

C25H32N2O — CID 3081003

IUPACN-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCCC(=O)N(c1ccc(C)cc1)C1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C25H32N2O/c1-3-25(28)27(21-11-9-19(2)10-12-21)24-17-22-13-14-23(18-24)26(22)16-15-20-7-5-4-6-8-20/h4-12,22-24H,3,13-18H2,1-2H3
InChIKeyKCPLUBBKRGPPMQ-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.98
Rot. Bonds6

About N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide

N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide (PubChem CID 3081003) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
PubChem CID3081003
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC NameN-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCCC(=O)N(c1ccc(C)cc1)C1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C25H32N2O/c1-3-25(28)27(21-11-9-19(2)10-12-21)24-17-22-13-14-23(18-24)26(22)16-15-20-7-5-4-6-8-20/h4-12,22-24H,3,13-18H2,1-2H3
InChIKeyKCPLUBBKRGPPMQ-UHFFFAOYSA-N
XLogP4.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The IUPAC name of N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide (CID 3081003) is N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The canonical SMILES for N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide is CCC(=O)N(c1ccc(C)cc1)C1CC2CCC(C1)N2CCc1ccccc1.
What is the InChIKey of N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The InChIKey is KCPLUBBKRGPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-25(28)27(21-11-9-19(2)10-12-21)24-17-22-13-14-23(18-24)26(22)16-15-20-7-5-4-6-8-20/h4-12,22-24H,3,13-18H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide has a molecular weight of 376.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide is sourced from PubChem (CID 3081003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).