9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H33ClN4O2 — CID 120991358

IUPAC9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C20H32N4O2.ClH/c1-12(20-23-18(24-26-20)13-6-3-2-4-7-13)22-19(25)16-10-14-8-5-9-15(11-16)17(14)21;/h12-17H,2-11,21H2,1H3,(H,22,25);1H
InChIKeyCDCYUYGQUXYRSC-UHFFFAOYSA-N
MW396.96 g/mol
LogP3.87
Rot. Bonds4

About 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120991358) has the molecular formula C20H33ClN4O2 and a molecular weight of 396.96 g/mol. Its IUPAC name is 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120991358
Molecular FormulaC20H33ClN4O2
Molecular Weight396.96 g/mol
Exact Mass396.23
IUPAC Name9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C20H32N4O2.ClH/c1-12(20-23-18(24-26-20)13-6-3-2-4-7-13)22-19(25)16-10-14-8-5-9-15(11-16)17(14)21;/h12-17H,2-11,21H2,1H3,(H,22,25);1H
InChIKeyCDCYUYGQUXYRSC-UHFFFAOYSA-N
XLogP3.87
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119817371
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119817375
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 98799539
2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817391
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500634

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120991358) is 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(NC(=O)C1CC2CCCC(C1)C2N)c1nc(C2CCCCC2)no1.Cl.
What is the InChIKey of 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is CDCYUYGQUXYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.ClH/c1-12(20-23-18(24-26-20)13-6-3-2-4-7-13)22-19(25)16-10-14-8-5-9-15(11-16)17(14)21;/h12-17H,2-11,21H2,1H3,(H,22,25);1H.
What are the key properties of 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120991358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).