N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide

C10H18N4O2 — CID 106400868

IUPACN-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCCc1ncon1
InChIInChI=1S/C10H18N4O2/c1-8(2)14(3)10(15)6-11-5-4-9-12-7-16-13-9/h7-8,11H,4-6H2,1-3H3
InChIKeyUJHOJIRCSXQKME-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.07
Rot. Bonds6

About N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide

N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 106400868) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID106400868
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCCc1ncon1
InChIInChI=1S/C10H18N4O2/c1-8(2)14(3)10(15)6-11-5-4-9-12-7-16-13-9/h7-8,11H,4-6H2,1-3H3
InChIKeyUJHOJIRCSXQKME-UHFFFAOYSA-N
XLogP0.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
CID 106401045
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 106400784
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
N-(2-methylbutan-2-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400717
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400786
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106400586
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 28577893
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409914

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide (CID 106400868) is N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNCCc1ncon1.
What is the InChIKey of N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is UJHOJIRCSXQKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(2)14(3)10(15)6-11-5-4-9-12-7-16-13-9/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide?
N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 226.28 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106400868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).