N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide

C11H20N4O2 — CID 106400717

IUPACN-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESCCC(C)(C)NC(=O)CNCCc1ncon1
InChIInChI=1S/C11H20N4O2/c1-4-11(2,3)14-10(16)7-12-6-5-9-13-8-17-15-9/h8,12H,4-7H2,1-3H3,(H,14,16)
InChIKeyPQSKHZSBCQCTDZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.51
Rot. Bonds7

About N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide

N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (PubChem CID 106400717) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
PubChem CID106400717
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
SMILESCCC(C)(C)NC(=O)CNCCc1ncon1
InChIInChI=1S/C11H20N4O2/c1-4-11(2,3)14-10(16)7-12-6-5-9-13-8-17-15-9/h8,12H,4-7H2,1-3H3,(H,14,16)
InChIKeyPQSKHZSBCQCTDZ-UHFFFAOYSA-N
XLogP0.51
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 106400784
N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 114183997
2-hydroxy-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106509755
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400786
N-(3-methylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106401239
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106400586
N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106400868
tert-butyl N-[3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propyl]carbamate
CID 106396801
2-(2-hydroxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60671300
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide (CID 106400717) is N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is CCC(C)(C)NC(=O)CNCCc1ncon1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
The InChIKey is PQSKHZSBCQCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-11(2,3)14-10(16)7-12-6-5-9-13-8-17-15-9/h8,12H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide?
N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide has a molecular weight of 240.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 106400717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).