3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide

C11H20N4O2 — CID 103021299

IUPAC3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCOC(C)(C)CC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H20N4O2/c1-8-12-9(14-13-8)7-15(4)10(16)6-11(2,3)17-5/h6-7H2,1-5H3,(H,12,13,14)
InChIKeyIYPSZPGUWWGVDV-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.89
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide

3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 103021299) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID103021299
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCOC(C)(C)CC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H20N4O2/c1-8-12-9(14-13-8)7-15(4)10(16)6-11(2,3)17-5/h6-7H2,1-5H3,(H,12,13,14)
InChIKeyIYPSZPGUWWGVDV-UHFFFAOYSA-N
XLogP0.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide (CID 103021299) is 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide is COC(C)(C)CC(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is IYPSZPGUWWGVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-12-9(14-13-8)7-15(4)10(16)6-11(2,3)17-5/h6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide?
3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 240.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 103021299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).