3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C20H23NO2 — CID 2098951

IUPAC3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H23NO2/c1-15-7-2-5-12-19(15)23-14-13-20(22)21-18-11-6-9-16-8-3-4-10-17(16)18/h2-5,7-8,10,12,18H,6,9,11,13-14H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyGDGMYVSECPSECA-SFHVURJKSA-N
MW309.41 g/mol
LogP3.96
Rot. Bonds5

About 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 2098951) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID2098951
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H23NO2/c1-15-7-2-5-12-19(15)23-14-13-20(22)21-18-11-6-9-16-8-3-4-10-17(16)18/h2-5,7-8,10,12,18H,6,9,11,13-14H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyGDGMYVSECPSECA-SFHVURJKSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 8015031
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
3-(4-fluorophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43060037
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(2-methylphenoxy)acetate
CID 7767797
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 2098951) is 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is Cc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is GDGMYVSECPSECA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-7-2-5-12-19(15)23-14-13-20(22)21-18-11-6-9-16-8-3-4-10-17(16)18/h2-5,7-8,10,12,18H,6,9,11,13-14H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 309.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 2098951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).