(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide

C23H31NO3 — CID 38001892

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31NO3/c1-7-26-20-12-8-18(9-13-20)16(2)24-22(25)17(3)27-21-14-10-19(11-15-21)23(4,5)6/h8-17H,7H2,1-6H3,(H,24,25)/t16-,17+/m1/s1
InChIKeyRSEONDDEHYSCIL-SJORKVTESA-N
MW369.51 g/mol
LogP5.03
Rot. Bonds7

About (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide (PubChem CID 38001892) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
PubChem CID38001892
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H31NO3/c1-7-26-20-12-8-18(9-13-20)16(2)24-22(25)17(3)27-21-14-10-19(11-15-21)23(4,5)6/h8-17H,7H2,1-6H3,(H,24,25)/t16-,17+/m1/s1
InChIKeyRSEONDDEHYSCIL-SJORKVTESA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]prop-2-enamide
CID 30384346
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28578729
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
(2R)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100554032
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
2-(tert-butylamino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 47844270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide (CID 38001892) is (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide is CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide?
The InChIKey is RSEONDDEHYSCIL-SJORKVTESA-N. The full InChI is InChI=1S/C23H31NO3/c1-7-26-20-12-8-18(9-13-20)16(2)24-22(25)17(3)27-21-14-10-19(11-15-21)23(4,5)6/h8-17H,7H2,1-6H3,(H,24,25)/t16-,17+/m1/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 38001892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).