N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide

C26H28N2O — CID 162645822

IUPACN-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESCc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1
InChIInChI=1S/C26H28N2O/c1-18-6-8-19(9-7-18)17-28-24-12-13-25(28)16-23(15-24)27-26(29)22-11-10-20-4-2-3-5-21(20)14-22/h2-11,14,23-25H,12-13,15-17H2,1H3,(H,27,29)
InChIKeyHZBJZVMDTJBVGG-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.07
Rot. Bonds4

About N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide

N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (PubChem CID 162645822) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
PubChem CID162645822
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESCc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1
InChIInChI=1S/C26H28N2O/c1-18-6-8-19(9-7-18)17-28-24-12-13-25(28)16-23(15-24)27-26(29)22-11-10-20-4-2-3-5-21(20)14-22/h2-11,14,23-25H,12-13,15-17H2,1H3,(H,27,29)
InChIKeyHZBJZVMDTJBVGG-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (CID 162645822) is N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is Cc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1.
What is the InChIKey of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The InChIKey is HZBJZVMDTJBVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18-6-8-19(9-7-18)17-28-24-12-13-25(28)16-23(15-24)27-26(29)22-11-10-20-4-2-3-5-21(20)14-22/h2-11,14,23-25H,12-13,15-17H2,1H3,(H,27,29).
What are the key properties of N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(4-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 162645822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).