N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride

C17H26Cl2N4O — CID 170897060

IUPACN-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride
SMILESCl.Cl.NC[C@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C17H24N4O.2ClH/c18-10-16(13-6-2-1-3-7-13)19-17(22)12-21-11-14-8-4-5-9-15(14)20-21;;/h4-5,8-9,11,13,16H,1-3,6-7,10,12,18H2,(H,19,22);2*1H/t16-;;/m0../s1
InChIKeyBUWWEISNEKUHRS-SQKCAUCHSA-N
MW373.33 g/mol
LogP2.90
Rot. Bonds5

About N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride

N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride (PubChem CID 170897060) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride
PubChem CID170897060
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC NameN-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride
SMILESCl.Cl.NC[C@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C17H24N4O.2ClH/c18-10-16(13-6-2-1-3-7-13)19-17(22)12-21-11-14-8-4-5-9-15(14)20-21;;/h4-5,8-9,11,13,16H,1-3,6-7,10,12,18H2,(H,19,22);2*1H/t16-;;/m0../s1
InChIKeyBUWWEISNEKUHRS-SQKCAUCHSA-N
XLogP2.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide
CID 170897061
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 119590714
N-(2-amino-1-cyclohexylethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride
CID 119591908
N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119590242
N-(2-amino-1-cyclohexylethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119591544
N-(2-amino-1-cyclopropylethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 119615273
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
methyl (2S)-2-[(2-indazol-2-ylacetyl)amino]-3-methylbutanoate
CID 24800199
N-(2-amino-1-cyclopropylethyl)-2-pyrazol-1-ylacetamide;dihydrochloride
CID 119616076
N-(2-amino-1-cyclohexylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119590893
N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
CID 119590097

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride (CID 170897060) is N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride is Cl.Cl.NC[C@H](NC(=O)Cn1cc2ccccc2n1)C1CCCCC1.
What is the InChIKey of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride?
The InChIKey is BUWWEISNEKUHRS-SQKCAUCHSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c18-10-16(13-6-2-1-3-7-13)19-17(22)12-21-11-14-8-4-5-9-15(14)20-21;;/h4-5,8-9,11,13,16H,1-3,6-7,10,12,18H2,(H,19,22);2*1H/t16-;;/m0../s1.
What are the key properties of N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride?
N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 170897060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).