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

C26H28N2O — CID 162657511

IUPACN-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESCc1ccccc1CN1C2CCC1CC(NC(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C26H28N2O/c1-18-6-2-3-9-22(18)17-28-24-12-13-25(28)16-23(15-24)27-26(29)21-11-10-19-7-4-5-8-20(19)14-21/h2-11,14,23-25H,12-13,15-17H2,1H3,(H,27,29)
InChIKeyWAPWCWXQGLXTRS-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.07
Rot. Bonds4

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

N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (PubChem CID 162657511) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
PubChem CID162657511
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
SMILESCc1ccccc1CN1C2CCC1CC(NC(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C26H28N2O/c1-18-6-2-3-9-22(18)17-28-24-12-13-25(28)16-23(15-24)27-26(29)21-11-10-19-7-4-5-8-20(19)14-21/h2-11,14,23-25H,12-13,15-17H2,1H3,(H,27,29)
InChIKeyWAPWCWXQGLXTRS-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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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
CID 45144897
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-1-carboxamide
CID 45144915
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
3-chloro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 3218228
3-chloro-N-[(1S,5S)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467226
2-methyl-N-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 51685001
N-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole-6-carboxamide
CID 175846986
1-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methylphenyl)urea
CID 98109906
N-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3,4-dimethoxybenzamide
CID 1461856
2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383

Frequently Asked Questions

What is the IUPAC name of N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide (CID 162657511) is N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is Cc1ccccc1CN1C2CCC1CC(NC(=O)c1ccc3ccccc3c1)C2.
What is the InChIKey of N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
The InChIKey is WAPWCWXQGLXTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18-6-2-3-9-22(18)17-28-24-12-13-25(28)16-23(15-24)27-26(29)21-11-10-19-7-4-5-8-20(19)14-21/h2-11,14,23-25H,12-13,15-17H2,1H3,(H,27,29).
What are the key properties of N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide?
N-[8-[(2-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-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 162657511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).