N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide

C23H33N3O2 — CID 3220652

IUPACN-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
SMILESO=C(CN1C2CCCC1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1
InChIInChI=1S/C23H33N3O2/c27-22(24-18-10-5-2-6-11-18)16-26-20-12-7-13-21(26)15-19(14-20)25-23(28)17-8-3-1-4-9-17/h2,5-6,10-11,17,19-21H,1,3-4,7-9,12-16H2,(H,24,27)(H,25,28)
InChIKeyAHGGYFONJMNZIQ-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.71
Rot. Bonds5

About N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide

N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide (PubChem CID 3220652) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
PubChem CID3220652
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
SMILESO=C(CN1C2CCCC1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1
InChIInChI=1S/C23H33N3O2/c27-22(24-18-10-5-2-6-11-18)16-26-20-12-7-13-21(26)15-19(14-20)25-23(28)17-8-3-1-4-9-17/h2,5-6,10-11,17,19-21H,1,3-4,7-9,12-16H2,(H,24,27)(H,25,28)
InChIKeyAHGGYFONJMNZIQ-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-phenylacetamide
CID 55237220
N-[(1S,5S)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110608
N-[(1R,5R)-9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 98110607
2-[(1S,5R)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 7390265
N-[9-(4-acetamidophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 644580
1-[(1R,5R)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-phenylurea
CID 1461622
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide
CID 98111247
2-[3-(cyclohexylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-(3-nitrophenyl)acetamide
CID 3220680
N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 166501852

Frequently Asked Questions

What is the IUPAC name of N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide (CID 3220652) is N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide is O=C(CN1C2CCCC1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1.
What is the InChIKey of N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
The InChIKey is AHGGYFONJMNZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22(24-18-10-5-2-6-11-18)16-26-20-12-7-13-21(26)15-19(14-20)25-23(28)17-8-3-1-4-9-17/h2,5-6,10-11,17,19-21H,1,3-4,7-9,12-16H2,(H,24,27)(H,25,28).
What are the key properties of N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide?
N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3220652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).