2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide

C19H25N5O2 — CID 136516066

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC3CCOC4(CCCC4)C3)n2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-4-6-15(7-5-14)18-21-23-24(22-18)13-17(25)20-16-8-11-26-19(12-16)9-2-3-10-19/h4-7,16H,2-3,8-13H2,1H3,(H,20,25)
InChIKeyJCYYDLQBADDLBL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.26
Rot. Bonds4

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide (PubChem CID 136516066) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide
PubChem CID136516066
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC3CCOC4(CCCC4)C3)n2)cc1
InChIInChI=1S/C19H25N5O2/c1-14-4-6-15(7-5-14)18-21-23-24(22-18)13-17(25)20-16-8-11-26-19(12-16)9-2-3-10-19/h4-7,16H,2-3,8-13H2,1H3,(H,20,25)
InChIKeyJCYYDLQBADDLBL-UHFFFAOYSA-N
XLogP2.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-(3,3-dimethylcyclopentyl)-2-[5-(furan-2-yl)tetrazol-2-yl]acetamide
CID 115882489
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513262
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7712979
N-cyclohexyl-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetamide
CID 1136538
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119458083
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3S,4R)-3-methoxyoxan-4-yl]acetamide
CID 91796929
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide (CID 136516066) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide is Cc1ccc(-c2nnn(CC(=O)NC3CCOC4(CCCC4)C3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide?
The InChIKey is JCYYDLQBADDLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-4-6-15(7-5-14)18-21-23-24(22-18)13-17(25)20-16-8-11-26-19(12-16)9-2-3-10-19/h4-7,16H,2-3,8-13H2,1H3,(H,20,25).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(6-oxaspiro[4.5]decan-9-yl)acetamide is sourced from PubChem (CID 136516066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).