N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C16H21N5O2 — CID 2998278

IUPACN-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCC1CCCCC1NC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H21N5O2/c1-12-4-2-3-5-15(12)18-16(22)10-23-14-8-6-13(7-9-14)21-11-17-19-20-21/h6-9,11-12,15H,2-5,10H2,1H3,(H,18,22)
InChIKeyRNGQTYKJQTYVLO-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds5

About N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 2998278) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID2998278
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCC1CCCCC1NC(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H21N5O2/c1-12-4-2-3-5-15(12)18-16(22)10-23-14-8-6-13(7-9-14)21-11-17-19-20-21/h6-9,11-12,15H,2-5,10H2,1H3,(H,18,22)
InChIKeyRNGQTYKJQTYVLO-UHFFFAOYSA-N
XLogP1.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 2998278) is N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is CC1CCCCC1NC(=O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is RNGQTYKJQTYVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-4-2-3-5-15(12)18-16(22)10-23-14-8-6-13(7-9-14)21-11-17-19-20-21/h6-9,11-12,15H,2-5,10H2,1H3,(H,18,22).
What are the key properties of N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 2998278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).