(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide

C19H23NO3 — CID 96538151

IUPAC(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
SMILESCCc1ccc(NC(=O)[C@H](C)[C@@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-4-14-5-9-16(10-6-14)20-19(22)13(2)18(21)15-7-11-17(23-3)12-8-15/h5-13,18,21H,4H2,1-3H3,(H,20,22)/t13-,18-/m1/s1
InChIKeyLQBGMBCVASNFPQ-FZKQIMNGSA-N
MW313.40 g/mol
LogP3.57
Rot. Bonds6

About (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide

(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 96538151) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID96538151
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
SMILESCCc1ccc(NC(=O)[C@H](C)[C@@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-4-14-5-9-16(10-6-14)20-19(22)13(2)18(21)15-7-11-17(23-3)12-8-15/h5-13,18,21H,4H2,1-3H3,(H,20,22)/t13-,18-/m1/s1
InChIKeyLQBGMBCVASNFPQ-FZKQIMNGSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 9026866
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
CID 11729459
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 3522399
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide (CID 96538151) is (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide is CCc1ccc(NC(=O)[C@H](C)[C@@H](O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is LQBGMBCVASNFPQ-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-14-5-9-16(10-6-14)20-19(22)13(2)18(21)15-7-11-17(23-3)12-8-15/h5-13,18,21H,4H2,1-3H3,(H,20,22)/t13-,18-/m1/s1.
What are the key properties of (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide?
(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 96538151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).