2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride

C16H25Cl2N3O — CID 119857974

IUPAC2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NC2CCN3CCCCC23)cc1
InChIInChI=1S/C16H23N3O.2ClH/c17-13-6-4-12(5-7-13)11-16(20)18-14-8-10-19-9-2-1-3-15(14)19;;/h4-7,14-15H,1-3,8-11,17H2,(H,18,20);2*1H
InChIKeyKJAPVDQCQIHEBU-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride

2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride (PubChem CID 119857974) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
PubChem CID119857974
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NC2CCN3CCCCC23)cc1
InChIInChI=1S/C16H23N3O.2ClH/c17-13-6-4-12(5-7-13)11-16(20)18-14-8-10-19-9-2-1-3-15(14)19;;/h4-7,14-15H,1-3,8-11,17H2,(H,18,20);2*1H
InChIKeyKJAPVDQCQIHEBU-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 55084044
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromoacetamide
CID 63680826
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CID 18930457
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide;dihydrochloride
CID 119854320
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)benzamide;dihydrochloride
CID 119946727
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CID 122080741
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-hydroxybutanamide
CID 79200616
2-(1-aminocyclopentyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 64684823
7-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)heptanamide
CID 43705615
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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride (CID 119857974) is 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)NC2CCN3CCCCC23)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride?
The InChIKey is KJAPVDQCQIHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c17-13-6-4-12(5-7-13)11-16(20)18-14-8-10-19-9-2-1-3-15(14)19;;/h4-7,14-15H,1-3,8-11,17H2,(H,18,20);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride?
2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119857974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).