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

C15H19N5O2 — CID 864028

IUPACN-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC1CCCCC1
InChIInChI=1S/C15H19N5O2/c21-15(17-12-5-2-1-3-6-12)10-22-14-8-4-7-13(9-14)20-11-16-18-19-20/h4,7-9,11-12H,1-3,5-6,10H2,(H,17,21)
InChIKeyFIFATJONBSFRHA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.49
Rot. Bonds5

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

N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 864028) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID864028
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(-n2cnnn2)c1)NC1CCCCC1
InChIInChI=1S/C15H19N5O2/c21-15(17-12-5-2-1-3-6-12)10-22-14-8-4-7-13(9-14)20-11-16-18-19-20/h4,7-9,11-12H,1-3,5-6,10H2,(H,17,21)
InChIKeyFIFATJONBSFRHA-UHFFFAOYSA-N
XLogP1.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 864028) is N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1cccc(-n2cnnn2)c1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is FIFATJONBSFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(17-12-5-2-1-3-6-12)10-22-14-8-4-7-13(9-14)20-11-16-18-19-20/h4,7-9,11-12H,1-3,5-6,10H2,(H,17,21).
What are the key properties of N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 864028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).