(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride

C18H22ClNO4 — CID 90468820

IUPAC(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
SMILESCCO[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO.Cl
InChIInChI=1S/C18H21NO4.ClH/c1-2-22-17(18(20)19-21)12-14-8-10-16(11-9-14)23-13-15-6-4-3-5-7-15;/h3-11,17,21H,2,12-13H2,1H3,(H,19,20);1H/t17-;/m0./s1
InChIKeyBJENHWABVBPBQK-LMOVPXPDSA-N
MW351.83 g/mol
LogP3.14
Rot. Bonds8

About (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride

(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride (PubChem CID 90468820) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
PubChem CID90468820
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
SMILESCCO[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO.Cl
InChIInChI=1S/C18H21NO4.ClH/c1-2-22-17(18(20)19-21)12-14-8-10-16(11-9-14)23-13-15-6-4-3-5-7-15;/h3-11,17,21H,2,12-13H2,1H3,(H,19,20);1H/t17-;/m0./s1
InChIKeyBJENHWABVBPBQK-LMOVPXPDSA-N
XLogP3.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
2-ethoxy-3-[4-(2-phenylmethoxyethoxy)phenyl]propanoic acid
CID 69176081
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
(2R)-2-ethoxy-N-hydroxy-3-[4-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]propanamide
CID 90468822
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
methyl 2-hexoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 54519655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride (CID 90468820) is (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride is CCO[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO.Cl.
What is the InChIKey of (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
The InChIKey is BJENHWABVBPBQK-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H21NO4.ClH/c1-2-22-17(18(20)19-21)12-14-8-10-16(11-9-14)23-13-15-6-4-3-5-7-15;/h3-11,17,21H,2,12-13H2,1H3,(H,19,20);1H/t17-;/m0./s1.
What are the key properties of (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride?
(2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-hydroxy-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 90468820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).