N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide

C24H37N3O — CID 90268864

IUPACN-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)N(c1ccccc1N)C1C[C@H]2CCC[C@@H](C1)N2C1CCCCCCC1
InChIInChI=1S/C24H37N3O/c1-18(28)26(24-15-8-7-14-23(24)25)22-16-20-12-9-13-21(17-22)27(20)19-10-5-3-2-4-6-11-19/h7-8,14-15,19-22H,2-6,9-13,16-17,25H2,1H3/t20-,21+,22?
InChIKeyRRHPMJCJDRWZBP-CBQGHPETSA-N
MW383.58 g/mol
LogP5.12
Rot. Bonds3

About N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide

N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (PubChem CID 90268864) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
PubChem CID90268864
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)N(c1ccccc1N)C1C[C@H]2CCC[C@@H](C1)N2C1CCCCCCC1
InChIInChI=1S/C24H37N3O/c1-18(28)26(24-15-8-7-14-23(24)25)22-16-20-12-9-13-21(17-22)27(20)19-10-5-3-2-4-6-11-19/h7-8,14-15,19-22H,2-6,9-13,16-17,25H2,1H3/t20-,21+,22?
InChIKeyRRHPMJCJDRWZBP-CBQGHPETSA-N
XLogP5.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The IUPAC name of N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (CID 90268864) is N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.
What is the SMILES notation for N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The canonical SMILES for N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is CC(=O)N(c1ccccc1N)C1C[C@H]2CCC[C@@H](C1)N2C1CCCCCCC1.
What is the InChIKey of N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The InChIKey is RRHPMJCJDRWZBP-CBQGHPETSA-N. The full InChI is InChI=1S/C24H37N3O/c1-18(28)26(24-15-8-7-14-23(24)25)22-16-20-12-9-13-21(17-22)27(20)19-10-5-3-2-4-6-11-19/h7-8,14-15,19-22H,2-6,9-13,16-17,25H2,1H3/t20-,21+,22?.
What are the key properties of N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide has a molecular weight of 383.58 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-[(1S,5R)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is sourced from PubChem (CID 90268864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).