2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide

C14H14N6O3 — CID 19165197

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)C(C(=O)Nc1nn[nH]n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H14N6O3/c1-7(2)10(11(21)15-14-16-18-19-17-14)20-12(22)8-5-3-4-6-9(8)13(20)23/h3-7,10H,1-2H3,(H2,15,16,17,18,19,21)
InChIKeyOMGQOZCDTYGFEY-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.46
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide (PubChem CID 19165197) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
PubChem CID19165197
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)C(C(=O)Nc1nn[nH]n1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H14N6O3/c1-7(2)10(11(21)15-14-16-18-19-17-14)20-12(22)8-5-3-4-6-9(8)13(20)23/h3-7,10H,1-2H3,(H2,15,16,17,18,19,21)
InChIKeyOMGQOZCDTYGFEY-UHFFFAOYSA-N
XLogP0.46
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide (CID 19165197) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide is CC(C)C(C(=O)Nc1nn[nH]n1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
The InChIKey is OMGQOZCDTYGFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-7(2)10(11(21)15-14-16-18-19-17-14)20-12(22)8-5-3-4-6-9(8)13(20)23/h3-7,10H,1-2H3,(H2,15,16,17,18,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide has a molecular weight of 314.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 19165197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).