2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide

C17H21N5O2 — CID 166253071

IUPAC2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CC1CCC2(CCC2)CO1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H21N5O2/c23-15(10-14-5-8-17(11-24-14)6-2-7-17)18-13-4-1-3-12(9-13)16-19-21-22-20-16/h1,3-4,9,14H,2,5-8,10-11H2,(H,18,23)(H,19,20,21,22)
InChIKeyAGDXEMBDDXSKNT-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.54
Rot. Bonds4

About 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide

2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 166253071) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID166253071
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CC1CCC2(CCC2)CO1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H21N5O2/c23-15(10-14-5-8-17(11-24-14)6-2-7-17)18-13-4-1-3-12(9-13)16-19-21-22-20-16/h1,3-4,9,14H,2,5-8,10-11H2,(H,18,23)(H,19,20,21,22)
InChIKeyAGDXEMBDDXSKNT-UHFFFAOYSA-N
XLogP2.54
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 66427419
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
N-[3-(2H-tetrazol-5-yl)phenyl]bicyclo[2.1.0]pentane-1-carboxamide
CID 167884555
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43712968
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 95908828
4-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolane-3-carboxamide
CID 66251010
2-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941735

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide (CID 166253071) is 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is O=C(CC1CCC2(CCC2)CO1)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is AGDXEMBDDXSKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-15(10-14-5-8-17(11-24-14)6-2-7-17)18-13-4-1-3-12(9-13)16-19-21-22-20-16/h1,3-4,9,14H,2,5-8,10-11H2,(H,18,23)(H,19,20,21,22).
What are the key properties of 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide?
2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 166253071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).