N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

C17H21N5O — CID 6494435

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C17H21N5O/c23-16(18-12-11-14-7-3-1-4-8-14)13-22-20-17(19-21-22)15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H,18,23)
InChIKeyIQCWOMYRZFOWPL-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 6494435) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID6494435
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C17H21N5O/c23-16(18-12-11-14-7-3-1-4-8-14)13-22-20-17(19-21-22)15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H,18,23)
InChIKeyIQCWOMYRZFOWPL-UHFFFAOYSA-N
XLogP2.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 6494435) is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is IQCWOMYRZFOWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-16(18-12-11-14-7-3-1-4-8-14)13-22-20-17(19-21-22)15-9-5-2-6-10-15/h2,5-7,9-10H,1,3-4,8,11-13H2,(H,18,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 6494435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).