3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H29ClN4O2 — CID 119817373

IUPAC3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-13(17(21)15-9-5-3-6-10-15)19(25)22-14(2)20-23-18(24-26-20)16-11-7-4-8-12-16;/h3,5-6,9-10,13-14,16-17H,4,7-8,11-12,21H2,1-2H3,(H,22,25);1H
InChIKeyCZTBJXWDHAYBOH-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.05
Rot. Bonds6

About 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119817373) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119817373
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-13(17(21)15-9-5-3-6-10-15)19(25)22-14(2)20-23-18(24-26-20)16-11-7-4-8-12-16;/h3,5-6,9-10,13-14,16-17H,4,7-8,11-12,21H2,1-2H3,(H,22,25);1H
InChIKeyCZTBJXWDHAYBOH-UHFFFAOYSA-N
XLogP4.05
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
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]butanamide
CID 119817400
9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991358
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119817371
(2S)-N-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 95782764
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817391
(2S)-N-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 96517904
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119817373) is 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is CC(NC(=O)C(C)C(N)c1ccccc1)c1nc(C2CCCCC2)no1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is CZTBJXWDHAYBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-13(17(21)15-9-5-3-6-10-15)19(25)22-14(2)20-23-18(24-26-20)16-11-7-4-8-12-16;/h3,5-6,9-10,13-14,16-17H,4,7-8,11-12,21H2,1-2H3,(H,22,25);1H.
What are the key properties of 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119817373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).