N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide

C12H22N4O3 — CID 47084602

IUPACN-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)C(C)c1nc(C)no1
InChIInChI=1S/C12H22N4O3/c1-9(12-14-10(2)15-19-12)16(3)8-11(17)13-6-5-7-18-4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyBGDPKECAUUCSMV-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.52
Rot. Bonds8

About N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide

N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (PubChem CID 47084602) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
PubChem CID47084602
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)C(C)c1nc(C)no1
InChIInChI=1S/C12H22N4O3/c1-9(12-14-10(2)15-19-12)16(3)8-11(17)13-6-5-7-18-4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyBGDPKECAUUCSMV-UHFFFAOYSA-N
XLogP0.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (CID 47084602) is N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is COCCCNC(=O)CN(C)C(C)c1nc(C)no1.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The InChIKey is BGDPKECAUUCSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-9(12-14-10(2)15-19-12)16(3)8-11(17)13-6-5-7-18-4/h9H,5-8H2,1-4H3,(H,13,17).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide has a molecular weight of 270.33 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is sourced from PubChem (CID 47084602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).