(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide

C21H27NO2 — CID 28564810

IUPAC(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H27NO2/c1-5-16-11-8-9-14-19(16)24-15(4)21(23)22-20-17(6-2)12-10-13-18(20)7-3/h8-15H,5-7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyMZXIPGMJFHSDIU-HNNXBMFYSA-N
MW325.45 g/mol
LogP4.78
Rot. Bonds7

About (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide

(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide (PubChem CID 28564810) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
PubChem CID28564810
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H27NO2/c1-5-16-11-8-9-14-19(16)24-15(4)21(23)22-20-17(6-2)12-10-13-18(20)7-3/h8-15H,5-7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyMZXIPGMJFHSDIU-HNNXBMFYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2R)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 94027173
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide (CID 28564810) is (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide?
The InChIKey is MZXIPGMJFHSDIU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-16-11-8-9-14-19(16)24-15(4)21(23)22-20-17(6-2)12-10-13-18(20)7-3/h8-15H,5-7H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide?
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 28564810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).