(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide

C26H30N2O2 — CID 122228094

IUPAC(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide
SMILESCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-19(2)24(28-25(29)23(27)18-20-12-6-3-7-13-20)26(30,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23-24,30H,18,27H2,1-2H3,(H,28,29)/t23-,24-/m0/s1
InChIKeyFGEFZDWFQQNINO-ZEQRLZLVSA-N
MW402.54 g/mol
LogP3.63
Rot. Bonds8

About (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide

(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide (PubChem CID 122228094) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide
PubChem CID122228094
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide
SMILESCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-19(2)24(28-25(29)23(27)18-20-12-6-3-7-13-20)26(30,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23-24,30H,18,27H2,1-2H3,(H,28,29)/t23-,24-/m0/s1
InChIKeyFGEFZDWFQQNINO-ZEQRLZLVSA-N
XLogP3.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
CID 122228093
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
CID 61162163
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoate
CID 11771430
(2S)-2-amino-3-phenyl-N-(3-phenylbutan-2-yl)propanamide;hydrochloride
CID 119327513
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
CID 74765736
1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid
CID 22811613

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide (CID 122228094) is (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide is CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide?
The InChIKey is FGEFZDWFQQNINO-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19(2)24(28-25(29)23(27)18-20-12-6-3-7-13-20)26(30,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23-24,30H,18,27H2,1-2H3,(H,28,29)/t23-,24-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide has a molecular weight of 402.54 g/mol, XLogP of 3.63, 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-[(2S)-1-hydroxy-3-methyl-1,1-diphenylbutan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 122228094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).