N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C13H25ClN4O2 — CID 119643263

IUPACN-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCCc1nc(C)no1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-4-13(14,5-2)9-15-11(18)7-6-8-12-16-10(3)17-19-12;/h4-9,14H2,1-3H3,(H,15,18);1H
InChIKeySMIIHGGGPRPVQZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP1.76
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119643263) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119643263
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CCCc1nc(C)no1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-4-13(14,5-2)9-15-11(18)7-6-8-12-16-10(3)17-19-12;/h4-9,14H2,1-3H3,(H,15,18);1H
InChIKeySMIIHGGGPRPVQZ-UHFFFAOYSA-N
XLogP1.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119643264
N-[2-(4-bromophenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55716404
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119608463
3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 66002123
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 56786138
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
CID 61013892
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119643263) is N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CCC(N)(CC)CNC(=O)CCCc1nc(C)no1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is SMIIHGGGPRPVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-4-13(14,5-2)9-15-11(18)7-6-8-12-16-10(3)17-19-12;/h4-9,14H2,1-3H3,(H,15,18);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119643263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).