(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C22H35NO2 — CID 100546131

IUPAC(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H35NO2/c1-4-7-10-17(5-2)16-23-22(24)21(6-3)25-20-14-13-18-11-8-9-12-19(18)15-20/h13-15,17,21H,4-12,16H2,1-3H3,(H,23,24)/t17-,21+/m1/s1
InChIKeyHMFLORQLRRIEAL-UTKZUKDTSA-N
MW345.53 g/mol
LogP5.06
Rot. Bonds10

About (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 100546131) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID100546131
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H35NO2/c1-4-7-10-17(5-2)16-23-22(24)21(6-3)25-20-14-13-18-11-8-9-12-19(18)15-20/h13-15,17,21H,4-12,16H2,1-3H3,(H,23,24)/t17-,21+/m1/s1
InChIKeyHMFLORQLRRIEAL-UTKZUKDTSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
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
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
(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-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
N-(3-cyclopentyloxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133249694
N-(furan-2-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133231084

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 100546131) is (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is HMFLORQLRRIEAL-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H35NO2/c1-4-7-10-17(5-2)16-23-22(24)21(6-3)25-20-14-13-18-11-8-9-12-19(18)15-20/h13-15,17,21H,4-12,16H2,1-3H3,(H,23,24)/t17-,21+/m1/s1.
What are the key properties of (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 345.53 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 100546131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).