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

C14H26N4O3 — CID 51102757

IUPACN-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)C(C)c1nc(C(C)C)no1
InChIInChI=1S/C14H26N4O3/c1-10(2)13-16-14(21-17-13)11(3)18(4)9-12(19)15-7-6-8-20-5/h10-11H,6-9H2,1-5H3,(H,15,19)
InChIKeyOAHWKBSOXBLNBZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.34
Rot. Bonds9

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

N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (PubChem CID 51102757) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
PubChem CID51102757
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)C(C)c1nc(C(C)C)no1
InChIInChI=1S/C14H26N4O3/c1-10(2)13-16-14(21-17-13)11(3)18(4)9-12(19)15-7-6-8-20-5/h10-11H,6-9H2,1-5H3,(H,15,19)
InChIKeyOAHWKBSOXBLNBZ-UHFFFAOYSA-N
XLogP1.34
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (CID 51102757) is N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is COCCCNC(=O)CN(C)C(C)c1nc(C(C)C)no1.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The InChIKey is OAHWKBSOXBLNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-10(2)13-16-14(21-17-13)11(3)18(4)9-12(19)15-7-6-8-20-5/h10-11H,6-9H2,1-5H3,(H,15,19).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide has a molecular weight of 298.39 g/mol, XLogP of 1.34, 9 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-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is sourced from PubChem (CID 51102757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).