(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide

C26H30N2O3 — CID 58907580

IUPAC(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide
SMILESCCc1ccc(OC[C@](C)(N)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C26H30N2O3/c1-4-19-6-12-22(13-7-19)30-18-26(3,27)25(29)28-21-10-16-24(17-11-21)31-23-14-8-20(5-2)9-15-23/h6-17H,4-5,18,27H2,1-3H3,(H,28,29)/t26-/m0/s1
InChIKeyGAJBIFMEKHORCX-SANMLTNESA-N
MW418.54 g/mol
LogP5.34
Rot. Bonds9

About (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide

(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide (PubChem CID 58907580) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide
PubChem CID58907580
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide
SMILESCCc1ccc(OC[C@](C)(N)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1
InChIInChI=1S/C26H30N2O3/c1-4-19-6-12-22(13-7-19)30-18-26(3,27)25(29)28-21-10-16-24(17-11-21)31-23-14-8-20(5-2)9-15-23/h6-17H,4-5,18,27H2,1-3H3,(H,28,29)/t26-/m0/s1
InChIKeyGAJBIFMEKHORCX-SANMLTNESA-N
XLogP5.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
[(2S)-2-amino-2-methyl-3-oxo-3-[4-[(4-phenylphenyl)methoxy]anilino]propyl] ethyl hydrogen phosphate
CID 58907582
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
ethyl 4-[[3-(4-ethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968302
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpentanamide
CID 60928090
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide?
The IUPAC name of (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide (CID 58907580) is (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide is CCc1ccc(OC[C@](C)(N)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide?
The InChIKey is GAJBIFMEKHORCX-SANMLTNESA-N. The full InChI is InChI=1S/C26H30N2O3/c1-4-19-6-12-22(13-7-19)30-18-26(3,27)25(29)28-21-10-16-24(17-11-21)31-23-14-8-20(5-2)9-15-23/h6-17H,4-5,18,27H2,1-3H3,(H,28,29)/t26-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide?
(2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide has a molecular weight of 418.54 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-ethylphenoxy)-N-[4-(4-ethylphenoxy)phenyl]-2-methylpropanamide is sourced from PubChem (CID 58907580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).