(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C21H27NO2 — CID 92674551

IUPAC(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-6-17-11-7-8-13-19(17)24-16(5)21(23)22-20-15(4)10-9-12-18(20)14(2)3/h7-14,16H,6H2,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyZPFVQVGGUKJKIM-INIZCTEOSA-N
MW325.45 g/mol
LogP5.09
Rot. Bonds6

About (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 92674551) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID92674551
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-6-17-11-7-8-13-19(17)24-16(5)21(23)22-20-15(4)10-9-12-18(20)14(2)3/h7-14,16H,6H2,1-5H3,(H,22,23)/t16-/m0/s1
InChIKeyZPFVQVGGUKJKIM-INIZCTEOSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 40872944
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729333
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275885
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 92674551) is (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is ZPFVQVGGUKJKIM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-17-11-7-8-13-19(17)24-16(5)21(23)22-20-15(4)10-9-12-18(20)14(2)3/h7-14,16H,6H2,1-5H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 92674551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).