(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide

C18H22N2O2 — CID 119314874

IUPAC(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide
SMILESCOC(C)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(22-2)15-9-6-10-16(12-15)20-18(21)17(19)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21)/t13?,17-/m0/s1
InChIKeyJWQMGNIWTDLGDF-RUINGEJQSA-N
MW298.39 g/mol
LogP2.90
Rot. Bonds6

About (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide

(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide (PubChem CID 119314874) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide
PubChem CID119314874
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide
SMILESCOC(C)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(22-2)15-9-6-10-16(12-15)20-18(21)17(19)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21)/t13?,17-/m0/s1
InChIKeyJWQMGNIWTDLGDF-RUINGEJQSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide 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)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
2-amino-N-(4-benzylsulfanyl-3-methoxyphenyl)-3-phenylpropanamide;ethane
CID 156652623
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
(2S)-N-[3-(acetylsulfamoyl)phenyl]-2-amino-3-phenylpropanamide
CID 57200354
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide (CID 119314874) is (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide is COC(C)c1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide?
The InChIKey is JWQMGNIWTDLGDF-RUINGEJQSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(22-2)15-9-6-10-16(12-15)20-18(21)17(19)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21)/t13?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide?
(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119314874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).