(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide

C22H29NO6 — CID 90468978

IUPAC(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide
SMILESCCO[C@@H](Cc1ccc(OC[C@H](O)c2cccc(OC)c2)cc1)C(=O)N(C)OC
InChIInChI=1S/C22H29NO6/c1-5-28-21(22(25)23(2)27-4)13-16-9-11-18(12-10-16)29-15-20(24)17-7-6-8-19(14-17)26-3/h6-12,14,20-21,24H,5,13,15H2,1-4H3/t20-,21-/m0/s1
InChIKeyPLAZCDPKCQKSNP-SFTDATJTSA-N
MW403.48 g/mol
LogP2.78
Rot. Bonds11

About (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide

(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide (PubChem CID 90468978) has the molecular formula C22H29NO6 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide
PubChem CID90468978
Molecular FormulaC22H29NO6
Molecular Weight403.48 g/mol
Exact Mass403.20
IUPAC Name(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide
SMILESCCO[C@@H](Cc1ccc(OC[C@H](O)c2cccc(OC)c2)cc1)C(=O)N(C)OC
InChIInChI=1S/C22H29NO6/c1-5-28-21(22(25)23(2)27-4)13-16-9-11-18(12-10-16)29-15-20(24)17-7-6-8-19(14-17)26-3/h6-12,14,20-21,24H,5,13,15H2,1-4H3/t20-,21-/m0/s1
InChIKeyPLAZCDPKCQKSNP-SFTDATJTSA-N
XLogP2.78
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethoxy-N-hydroxy-3-[4-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]propanamide
CID 90468822
ethyl 2-ethoxy-3-[4-[2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
CID 118902202
2-ethoxy-3-[4-[2-(3-methoxyphenyl)-2-nitrosoethoxy]phenyl]propanoic acid
CID 123610718
(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoic acid;ethyl (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methylphenyl)ethoxy]phenyl]propanoate
CID 161481427
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
potassium 5-[[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidin-3-ide-2,4-dione
CID 53353442
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide?
The IUPAC name of (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide (CID 90468978) is (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide is CCO[C@@H](Cc1ccc(OC[C@H](O)c2cccc(OC)c2)cc1)C(=O)N(C)OC.
What is the InChIKey of (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide?
The InChIKey is PLAZCDPKCQKSNP-SFTDATJTSA-N. The full InChI is InChI=1S/C22H29NO6/c1-5-28-21(22(25)23(2)27-4)13-16-9-11-18(12-10-16)29-15-20(24)17-7-6-8-19(14-17)26-3/h6-12,14,20-21,24H,5,13,15H2,1-4H3/t20-,21-/m0/s1.
What are the key properties of (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide?
(2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide has a molecular weight of 403.48 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-3-[4-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 90468978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).