(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide

C17H23N5O2 — CID 95122399

IUPAC(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1nn[nH]n1
InChIInChI=1S/C17H23N5O2/c1-2-15(17(23)18-10-9-16-19-21-22-20-16)24-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,18,23)(H,19,20,21,22)/t15-/m1/s1
InChIKeyBMACZULXHGNAGO-OAHLLOKOSA-N
MW329.40 g/mol
LogP1.59
Rot. Bonds7

About (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide

(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide (PubChem CID 95122399) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide
PubChem CID95122399
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1nn[nH]n1
InChIInChI=1S/C17H23N5O2/c1-2-15(17(23)18-10-9-16-19-21-22-20-16)24-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,18,23)(H,19,20,21,22)/t15-/m1/s1
InChIKeyBMACZULXHGNAGO-OAHLLOKOSA-N
XLogP1.59
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide with MolForge

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Related Compounds

N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100569512
N-(cyclobutylmethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)butanamide
CID 110281951
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
N-(3-cyclopentyloxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133249694
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide (CID 95122399) is (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide is CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1nn[nH]n1.
What is the InChIKey of (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
The InChIKey is BMACZULXHGNAGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-15(17(23)18-10-9-16-19-21-22-20-16)24-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,18,23)(H,19,20,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide?
(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide has a molecular weight of 329.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(2H-tetrazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 95122399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).