2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide

C15H19N5O2 — CID 46993211

IUPAC2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C15H19N5O2/c1-11(2)10-22-13-7-4-3-6-12(13)15(21)16-9-5-8-14-17-19-20-18-14/h3-4,6-7H,1,5,8-10H2,2H3,(H,16,21)(H,17,18,19,20)
InChIKeyAWVCPUGIGHKYHG-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.52
Rot. Bonds8

About 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide

2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide (PubChem CID 46993211) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide
PubChem CID46993211
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCCCc1nn[nH]n1
InChIInChI=1S/C15H19N5O2/c1-11(2)10-22-13-7-4-3-6-12(13)15(21)16-9-5-8-14-17-19-20-18-14/h3-4,6-7H,1,5,8-10H2,2H3,(H,16,21)(H,17,18,19,20)
InChIKeyAWVCPUGIGHKYHG-UHFFFAOYSA-N
XLogP1.52
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide (CID 46993211) is 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide is C=C(C)COc1ccccc1C(=O)NCCCc1nn[nH]n1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide?
The InChIKey is AWVCPUGIGHKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11(2)10-22-13-7-4-3-6-12(13)15(21)16-9-5-8-14-17-19-20-18-14/h3-4,6-7H,1,5,8-10H2,2H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide?
2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide has a molecular weight of 301.35 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[3-(2H-tetrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 46993211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).