(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C21H33NO2 — CID 100546024

IUPAC(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2
InChIInChI=1S/C21H33NO2/c1-4-6-10-17(5-2)15-22-21(23)16(3)24-20-14-9-12-18-11-7-8-13-19(18)20/h9,12,14,16-17H,4-8,10-11,13,15H2,1-3H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyIYNYAWQFMVQOML-SJORKVTESA-N
MW331.50 g/mol
LogP4.67
Rot. Bonds9

About (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 100546024) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID100546024
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2
InChIInChI=1S/C21H33NO2/c1-4-6-10-17(5-2)15-22-21(23)16(3)24-20-14-9-12-18-11-7-8-13-19(18)20/h9,12,14,16-17H,4-8,10-11,13,15H2,1-3H3,(H,22,23)/t16-,17+/m1/s1
InChIKeyIYNYAWQFMVQOML-SJORKVTESA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)-2-(2-ethylphenoxy)propanamide
CID 133235259
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 154132610
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446
N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133234673
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
(2S)-2-(2,4-dibromophenoxy)-N-[(2R)-2-ethylhexyl]propanamide
CID 40736866

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 100546024) is (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2.
What is the InChIKey of (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is IYNYAWQFMVQOML-SJORKVTESA-N. The full InChI is InChI=1S/C21H33NO2/c1-4-6-10-17(5-2)15-22-21(23)16(3)24-20-14-9-12-18-11-7-8-13-19(18)20/h9,12,14,16-17H,4-8,10-11,13,15H2,1-3H3,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 331.50 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 100546024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).