(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide

C21H28N2O4 — CID 11639348

IUPAC(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
SMILESCOc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1
InChIInChI=1S/C21H28N2O4/c1-21(22,15-24)20(25)23-17-8-12-19(13-9-17)27-14-4-3-5-16-6-10-18(26-2)11-7-16/h6-13,24H,3-5,14-15,22H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyYUIMOAIVEUAFHF-NRFANRHFSA-N
MW372.47 g/mol
LogP2.75
Rot. Bonds10

About (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide

(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide (PubChem CID 11639348) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
PubChem CID11639348
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
SMILESCOc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1
InChIInChI=1S/C21H28N2O4/c1-21(22,15-24)20(25)23-17-8-12-19(13-9-17)27-14-4-3-5-16-6-10-18(26-2)11-7-16/h6-13,24H,3-5,14-15,22H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyYUIMOAIVEUAFHF-NRFANRHFSA-N
XLogP2.75
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-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

(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 69266314
[2-amino-2-methyl-3-oxo-3-[4-(5-phenylpentoxy)anilino]propyl] dihydrogen phosphate
CID 69268048
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 11518212
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031
(2R)-2-amino-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]-2-methylbutan-1-ol
CID 59655604
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
CID 107709921
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
N-[2-amino-3-hydroxy-3-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 87704063

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide (CID 11639348) is (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide is COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide?
The InChIKey is YUIMOAIVEUAFHF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-21(22,15-24)20(25)23-17-8-12-19(13-9-17)27-14-4-3-5-16-6-10-18(26-2)11-7-16/h6-13,24H,3-5,14-15,22H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide?
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide has a molecular weight of 372.47 g/mol, XLogP of 2.75, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 11639348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).