(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide

C17H20N2O2 — CID 61149131

IUPAC(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCc1ccccc1NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2/c1-2-13-5-3-4-6-16(13)19-17(21)15(18)11-12-7-9-14(20)10-8-12/h3-10,15,20H,2,11,18H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyCQYDOEGPJWMZIY-HNNXBMFYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds5

About (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 61149131) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID61149131
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCc1ccccc1NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C17H20N2O2/c1-2-13-5-3-4-6-16(13)19-17(21)15(18)11-12-7-9-14(20)10-8-12/h3-10,15,20H,2,11,18H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyCQYDOEGPJWMZIY-HNNXBMFYSA-N
XLogP2.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propanamide
CID 81495580
(2S)-2-amino-N-(2-bromo-3-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 103479342
(2S)-2-amino-N-(3-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148914
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
CID 79602874
4-[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]phenyl]-N-methylbutanamide;hydrate;hydrochloride
CID 70444577
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892554
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
(2R)-2-amino-N-(2,4-dibromophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide (CID 61149131) is (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide is CCc1ccccc1NC(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is CQYDOEGPJWMZIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-13-5-3-4-6-16(13)19-17(21)15(18)11-12-7-9-14(20)10-8-12/h3-10,15,20H,2,11,18H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 61149131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).