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

C26H28N2O2 — CID 162669420

IUPACN-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESCOc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1
InChIInChI=1S/C26H28N2O2/c1-30-25-12-6-18(7-13-25)17-28-23-10-11-24(28)16-22(15-23)27-26(29)21-9-8-19-4-2-3-5-20(19)14-21/h2-9,12-14,22-24H,10-11,15-17H2,1H3,(H,27,29)
InChIKeyWRTDTGCYNXJBFL-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.77
Rot. Bonds5

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

N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (PubChem CID 162669420) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
PubChem CID162669420
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESCOc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1
InChIInChI=1S/C26H28N2O2/c1-30-25-12-6-18(7-13-25)17-28-23-10-11-24(28)16-22(15-23)27-26(29)21-9-8-19-4-2-3-5-20(19)14-21/h2-9,12-14,22-24H,10-11,15-17H2,1H3,(H,27,29)
InChIKeyWRTDTGCYNXJBFL-UHFFFAOYSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (CID 162669420) is N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is COc1ccc(CN2C3CCC2CC(NC(=O)c2ccc4ccccc4c2)C3)cc1.
What is the InChIKey of N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The InChIKey is WRTDTGCYNXJBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-30-25-12-6-18(7-13-25)17-28-23-10-11-24(28)16-22(15-23)27-26(29)21-9-8-19-4-2-3-5-20(19)14-21/h2-9,12-14,22-24H,10-11,15-17H2,1H3,(H,27,29).
What are the key properties of N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 162669420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).