(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide

C21H27NO2 — CID 28632091

IUPAC(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-5-17-9-7-8-10-20(17)24-16(4)21(23)22-19(6-2)18-13-11-15(3)12-14-18/h7-14,16,19H,5-6H2,1-4H3,(H,22,23)/t16-,19+/m0/s1
InChIKeyFMWKJSADZCCXAU-QFBILLFUSA-N
MW325.45 g/mol
LogP4.59
Rot. Bonds7

About (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide

(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide (PubChem CID 28632091) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
PubChem CID28632091
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-5-17-9-7-8-10-20(17)24-16(4)21(23)22-19(6-2)18-13-11-15(3)12-14-18/h7-14,16,19H,5-6H2,1-4H3,(H,22,23)/t16-,19+/m0/s1
InChIKeyFMWKJSADZCCXAU-QFBILLFUSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92673641
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401
N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133202296
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide (CID 28632091) is (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide is CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The InChIKey is FMWKJSADZCCXAU-QFBILLFUSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-17-9-7-8-10-20(17)24-16(4)21(23)22-19(6-2)18-13-11-15(3)12-14-18/h7-14,16,19H,5-6H2,1-4H3,(H,22,23)/t16-,19+/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.59, 7 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-[(1R)-1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 28632091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).