(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

C21H27NO3 — CID 9237321

IUPAC(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-5-17-6-10-20(11-7-17)25-16(4)21(23)22-18-8-12-19(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyZRQIYLYBSONBMF-INIZCTEOSA-N
MW341.45 g/mol
LogP4.69
Rot. Bonds8

About (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (PubChem CID 9237321) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
PubChem CID9237321
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-5-17-6-10-20(11-7-17)25-16(4)21(23)22-18-8-12-19(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1
InChIKeyZRQIYLYBSONBMF-INIZCTEOSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
(2R)-2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)propanamide
CID 40746967
2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (CID 9237321) is (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is ZRQIYLYBSONBMF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-17-6-10-20(11-7-17)25-16(4)21(23)22-18-8-12-19(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 9237321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).