2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide

C14H19N5O2 — CID 67638482

IUPAC2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide
SMILESCCC(Oc1c(C)cc(-c2nnn(C)n2)cc1C)C(N)=O
InChIInChI=1S/C14H19N5O2/c1-5-11(13(15)20)21-12-8(2)6-10(7-9(12)3)14-16-18-19(4)17-14/h6-7,11H,5H2,1-4H3,(H2,15,20)
InChIKeyFSSADKGTWDBQRW-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.14
Rot. Bonds5

About 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide

2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide (PubChem CID 67638482) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide
PubChem CID67638482
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide
SMILESCCC(Oc1c(C)cc(-c2nnn(C)n2)cc1C)C(N)=O
InChIInChI=1S/C14H19N5O2/c1-5-11(13(15)20)21-12-8(2)6-10(7-9(12)3)14-16-18-19(4)17-14/h6-7,11H,5H2,1-4H3,(H2,15,20)
InChIKeyFSSADKGTWDBQRW-UHFFFAOYSA-N
XLogP1.14
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide?
The IUPAC name of 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide (CID 67638482) is 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide.
What is the SMILES notation for 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide?
The canonical SMILES for 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide is CCC(Oc1c(C)cc(-c2nnn(C)n2)cc1C)C(N)=O.
What is the InChIKey of 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide?
The InChIKey is FSSADKGTWDBQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-5-11(13(15)20)21-12-8(2)6-10(7-9(12)3)14-16-18-19(4)17-14/h6-7,11H,5H2,1-4H3,(H2,15,20).
What are the key properties of 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide?
2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide has a molecular weight of 289.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanamide is sourced from PubChem (CID 67638482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).