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

C25H26N2O — CID 54577620

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H26N2O/c28-25(21-11-10-19-8-4-5-9-20(19)14-21)26-22-15-23-12-13-24(16-22)27(23)17-18-6-2-1-3-7-18/h1-11,14,22-24H,12-13,15-17H2,(H,26,28)
InChIKeySZQSNCKURPPYDK-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.77
Rot. Bonds4

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

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide (PubChem CID 54577620) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
PubChem CID54577620
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H26N2O/c28-25(21-11-10-19-8-4-5-9-20(19)14-21)26-22-15-23-12-13-24(16-22)27(23)17-18-6-2-1-3-7-18/h1-11,14,22-24H,12-13,15-17H2,(H,26,28)
InChIKeySZQSNCKURPPYDK-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
CID 162657511
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
N-[(1S,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3,4-dimethoxybenzamide
CID 1461856
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
N-[2-[[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 12002973
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 86934093
3-methyl-N-[(1S,5S)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467036
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide (CID 54577620) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide is O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide?
The InChIKey is SZQSNCKURPPYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c28-25(21-11-10-19-8-4-5-9-20(19)14-21)26-22-15-23-12-13-24(16-22)27(23)17-18-6-2-1-3-7-18/h1-11,14,22-24H,12-13,15-17H2,(H,26,28).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 54577620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).