(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide

C29H28N2O2 — CID 122228093

IUPAC(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2O2/c30-26(21-22-13-5-1-6-14-22)28(32)31-27(23-15-7-2-8-16-23)29(33,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,33H,21,30H2,(H,31,32)/t26-,27-/m0/s1
InChIKeyPNCBUIKIDPRUIR-SVBPBHIXSA-N
MW436.56 g/mol
LogP4.35
Rot. Bonds8

About (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide

(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide (PubChem CID 122228093) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
PubChem CID122228093
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2O2/c30-26(21-22-13-5-1-6-14-22)28(32)31-27(23-15-7-2-8-16-23)29(33,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,33H,21,30H2,(H,31,32)/t26-,27-/m0/s1
InChIKeyPNCBUIKIDPRUIR-SVBPBHIXSA-N
XLogP4.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-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)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide
CID 122228094
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride
CID 119327513
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
CID 61162163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide (CID 122228093) is (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide?
The InChIKey is PNCBUIKIDPRUIR-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H28N2O2/c30-26(21-22-13-5-1-6-14-22)28(32)31-27(23-15-7-2-8-16-23)29(33,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,33H,21,30H2,(H,31,32)/t26-,27-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide has a molecular weight of 436.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide is sourced from PubChem (CID 122228093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).