N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C17H21N5O2 — CID 2620828

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NCCC1=CCCCC1
InChIInChI=1S/C17H21N5O2/c23-17(18-10-9-14-5-2-1-3-6-14)12-24-16-8-4-7-15(11-16)22-13-19-20-21-22/h4-5,7-8,11,13H,1-3,6,9-10,12H2,(H,18,23)
InChIKeyWGULEVZMODGWJT-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.05
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2620828) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2620828
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NCCC1=CCCCC1
InChIInChI=1S/C17H21N5O2/c23-17(18-10-9-14-5-2-1-3-6-14)12-24-16-8-4-7-15(11-16)22-13-19-20-21-22/h4-5,7-8,11,13H,1-3,6,9-10,12H2,(H,18,23)
InChIKeyWGULEVZMODGWJT-UHFFFAOYSA-N
XLogP2.05
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 2620828) is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is WGULEVZMODGWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(18-10-9-14-5-2-1-3-6-14)12-24-16-8-4-7-15(11-16)22-13-19-20-21-22/h4-5,7-8,11,13H,1-3,6,9-10,12H2,(H,18,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 327.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2620828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).