(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C20H23NO2 — CID 100509467

IUPAC(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-15(20(22)21-14-16-7-3-2-4-8-16)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyCLCDOTIJTKYTHH-HNNXBMFYSA-N
MW309.41 g/mol
LogP3.65
Rot. Bonds5

About (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100509467) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100509467
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-15(20(22)21-14-16-7-3-2-4-8-16)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyCLCDOTIJTKYTHH-HNNXBMFYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
N-[(3-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235704
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100721079
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100546752
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
N-[3-(N-methylanilino)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200305
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200091
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200328

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100509467) is (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is CLCDOTIJTKYTHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15(20(22)21-14-16-7-3-2-4-8-16)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 309.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100509467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).