N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide

C16H18N6O3 — CID 15944913

IUPACN-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide
SMILESCC(=O)NC(CCCN1C(=O)c2ccccc2C1=O)c1nnn(C)n1
InChIInChI=1S/C16H18N6O3/c1-10(23)17-13(14-18-20-21(2)19-14)8-5-9-22-15(24)11-6-3-4-7-12(11)16(22)25/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,17,23)
InChIKeyUVAFQJPNVOKKIC-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.46
Rot. Bonds6

About N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide

N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide (PubChem CID 15944913) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide
PubChem CID15944913
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide
SMILESCC(=O)NC(CCCN1C(=O)c2ccccc2C1=O)c1nnn(C)n1
InChIInChI=1S/C16H18N6O3/c1-10(23)17-13(14-18-20-21(2)19-14)8-5-9-22-15(24)11-6-3-4-7-12(11)16(22)25/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,17,23)
InChIKeyUVAFQJPNVOKKIC-UHFFFAOYSA-N
XLogP0.46
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide (CID 15944913) is N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide is CC(=O)NC(CCCN1C(=O)c2ccccc2C1=O)c1nnn(C)n1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide?
The InChIKey is UVAFQJPNVOKKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-10(23)17-13(14-18-20-21(2)19-14)8-5-9-22-15(24)11-6-3-4-7-12(11)16(22)25/h3-4,6-7,13H,5,8-9H2,1-2H3,(H,17,23).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide?
N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)-1-(2-methyltetrazol-5-yl)butyl]acetamide is sourced from PubChem (CID 15944913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).