N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C18H22N6O — CID 51049242

IUPACN-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H22N6O/c25-17(21-15-5-4-14-6-9-19-16(14)10-15)11-18(7-2-1-3-8-18)12-24-13-20-22-23-24/h4-6,9-10,13,19H,1-3,7-8,11-12H2,(H,21,25)
InChIKeyQNRNBQNZIUGXQW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.13
Rot. Bonds5

About N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 51049242) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID51049242
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC NameN-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C18H22N6O/c25-17(21-15-5-4-14-6-9-19-16(14)10-15)11-18(7-2-1-3-8-18)12-24-13-20-22-23-24/h4-6,9-10,13,19H,1-3,7-8,11-12H2,(H,21,25)
InChIKeyQNRNBQNZIUGXQW-UHFFFAOYSA-N
XLogP3.13
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 51049242) is N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is QNRNBQNZIUGXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c25-17(21-15-5-4-14-6-9-19-16(14)10-15)11-18(7-2-1-3-8-18)12-24-13-20-22-23-24/h4-6,9-10,13,19H,1-3,7-8,11-12H2,(H,21,25).
What are the key properties of N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 51049242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).