(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

C23H27N3O2 — CID 7403530

IUPAC(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1cccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)c1
InChIInChI=1S/C23H27N3O2/c1-16-7-5-10-18(13-16)25-23(28)26-20-11-6-12-21(26)15-19(14-20)24-22(27)17-8-3-2-4-9-17/h2-5,7-10,13,19-21H,6,11-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-,21-/m1/s1
InChIKeyUZWOCPDQWAGFEU-NHCUHLMSSA-N
MW377.49 g/mol
LogP4.34
Rot. Bonds3

About (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide

(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 7403530) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID7403530
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
SMILESCc1cccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)c1
InChIInChI=1S/C23H27N3O2/c1-16-7-5-10-18(13-16)25-23(28)26-20-11-6-12-21(26)15-19(14-20)24-22(27)17-8-3-2-4-9-17/h2-5,7-10,13,19-21H,6,11-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-,21-/m1/s1
InChIKeyUZWOCPDQWAGFEU-NHCUHLMSSA-N
XLogP4.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
(1S,5S)-3-benzamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403544
3-methyl-N-[(1R,5R)-9-(phenylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110563
3-methyl-N-[(1R,5S)-9-(phenylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 7389862
(1S,5R)-3-[(3-methoxybenzoyl)amino]-N-phenyl-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 1467241
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403583
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
3-benzamido-N-(2-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218255
(1R,5R)-N-(2-fluorophenyl)-3-[(4-methylbenzoyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110456
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
(1R,5R)-3-acetamido-N-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110447

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide (CID 7403530) is (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is Cc1cccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)c1.
What is the InChIKey of (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is UZWOCPDQWAGFEU-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-7-5-10-18(13-16)25-23(28)26-20-11-6-12-21(26)15-19(14-20)24-22(27)17-8-3-2-4-9-17/h2-5,7-10,13,19-21H,6,11-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-,21-/m1/s1.
What are the key properties of (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide?
(1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-benzamido-N-(3-methylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 7403530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).