N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride

C20H31ClN4O2 — CID 119655283

IUPACN-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-19(2,3)11-16-22-17(23-26-16)14-8-7-9-15(10-14)18(25)24(6)13-20(4,5)12-21;/h7-10H,11-13,21H2,1-6H3;1H
InChIKeyFEWCTPQSYRRUAS-UHFFFAOYSA-N
MW394.95 g/mol
LogP3.80
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride (PubChem CID 119655283) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride
PubChem CID119655283
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1.Cl
InChIInChI=1S/C20H30N4O2.ClH/c1-19(2,3)11-16-22-17(23-26-16)14-8-7-9-15(10-14)18(25)24(6)13-20(4,5)12-21;/h7-10H,11-13,21H2,1-6H3;1H
InChIKeyFEWCTPQSYRRUAS-UHFFFAOYSA-N
XLogP3.80
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]benzoyl]-methylamino]acetic acid
CID 119346450
3-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N-(2,2-dimethylpropyl)-N-methylbenzamide
CID 120892501
N-(2-amino-5-fluorophenyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 167918481
1-N-(3-amino-2,2-dimethylpropyl)-1-N,3-N-dimethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 119654649
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119655982
N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
CID 119653875
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide
CID 119452479
4-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 54595268
1-amino-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002577
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557781

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride (CID 119655283) is N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride?
The InChIKey is FEWCTPQSYRRUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.ClH/c1-19(2,3)11-16-22-17(23-26-16)14-8-7-9-15(10-14)18(25)24(6)13-20(4,5)12-21;/h7-10H,11-13,21H2,1-6H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119655283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).