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

C21H25NO3 — CID 8015031

IUPAC3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCOc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H25NO3/c1-2-24-19-12-5-6-13-20(19)25-15-14-21(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-6,8,10,12-13,18H,2,7,9,11,14-15H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyWECGDVMVAOCRFP-SFHVURJKSA-N
MW339.44 g/mol
LogP4.05
Rot. Bonds7

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

3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 8015031) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID8015031
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCCOc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H25NO3/c1-2-24-19-12-5-6-13-20(19)25-15-14-21(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-6,8,10,12-13,18H,2,7,9,11,14-15H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyWECGDVMVAOCRFP-SFHVURJKSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2098951
3-(4-fluorophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43060037
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 7973970
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30203302
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 8015031) is 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CCOc1ccccc1OCCC(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is WECGDVMVAOCRFP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-24-19-12-5-6-13-20(19)25-15-14-21(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-6,8,10,12-13,18H,2,7,9,11,14-15H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 8015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).