N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C18H23N5O — CID 846203

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O/c1-14-7-9-16(10-8-14)18-20-22-23(21-18)13-17(24)19-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,19,24)
InChIKeySOMRPQCTJOOXRS-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 846203) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID846203
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C18H23N5O/c1-14-7-9-16(10-8-14)18-20-22-23(21-18)13-17(24)19-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,19,24)
InChIKeySOMRPQCTJOOXRS-UHFFFAOYSA-N
XLogP2.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.66
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-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 846203) is N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)NCCC3=CCCCC3)n2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is SOMRPQCTJOOXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-7-9-16(10-8-14)18-20-22-23(21-18)13-17(24)19-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,19,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 2.66, 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-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 846203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).