ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate

C19H23NO3 — CID 15517988

IUPACethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(OC)cc1
InChIInChI=1S/C19H23NO3/c1-3-23-19(21)18(13-15-7-5-4-6-8-15)20-14-16-9-11-17(22-2)12-10-16/h4-12,18,20H,3,13-14H2,1-2H3/t18-/m0/s1
InChIKeySTANYVGEOLANPU-SFHVURJKSA-N
MW313.40 g/mol
LogP2.96
Rot. Bonds8

About ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate

ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate (PubChem CID 15517988) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
PubChem CID15517988
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(OC)cc1
InChIInChI=1S/C19H23NO3/c1-3-23-19(21)18(13-15-7-5-4-6-8-15)20-14-16-9-11-17(22-2)12-10-16/h4-12,18,20H,3,13-14H2,1-2H3/t18-/m0/s1
InChIKeySTANYVGEOLANPU-SFHVURJKSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate 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

Safinamide
CID 131682
Priralfinamide
CID 5745207
Tiropramide
CID 42262
O-benzyl-L-tyrosine
CID 725701
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 367137
N-Acetyl-O-benzyl-L-tyrosine
CID 71454723
O-benzyl-N-(carboxycarbonyl)-D-tyrosine
CID 44820611
2-fluorobenzyl N-(4-methoxybenzoyl)glycinate
CID 1242129

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate (CID 15517988) is ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(OC)cc1.
What is the InChIKey of ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate?
The InChIKey is STANYVGEOLANPU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-23-19(21)18(13-15-7-5-4-6-8-15)20-14-16-9-11-17(22-2)12-10-16/h4-12,18,20H,3,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate?
ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate has a molecular weight of 313.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate is sourced from PubChem (CID 15517988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).