2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide

C14H24N4O4 — CID 46990937

IUPAC2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
SMILESCCN(Cc1nc(COC)no1)C(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C14H24N4O4/c1-6-18(7-12-16-11(8-21-5)17-22-12)14(20)13(9(2)3)15-10(4)19/h9,13H,6-8H2,1-5H3,(H,15,19)
InChIKeyAVRANTMUVLQOBM-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.73
Rot. Bonds8

About 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide

2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide (PubChem CID 46990937) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
PubChem CID46990937
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
SMILESCCN(Cc1nc(COC)no1)C(=O)C(NC(C)=O)C(C)C
InChIInChI=1S/C14H24N4O4/c1-6-18(7-12-16-11(8-21-5)17-22-12)14(20)13(9(2)3)15-10(4)19/h9,13H,6-8H2,1-5H3,(H,15,19)
InChIKeyAVRANTMUVLQOBM-UHFFFAOYSA-N
XLogP0.73
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide (CID 46990937) is 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide is CCN(Cc1nc(COC)no1)C(=O)C(NC(C)=O)C(C)C.
What is the InChIKey of 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
The InChIKey is AVRANTMUVLQOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-6-18(7-12-16-11(8-21-5)17-22-12)14(20)13(9(2)3)15-10(4)19/h9,13H,6-8H2,1-5H3,(H,15,19).
What are the key properties of 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide?
2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide has a molecular weight of 312.37 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 46990937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).