(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide

C21H28N2O2 — CID 119328654

IUPAC(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)17-11-9-16(10-12-17)19(24)14-23-20(25)18(22)13-15-7-5-4-6-8-15/h4-12,18-19,24H,13-14,22H2,1-3H3,(H,23,25)/t18-,19?/m0/s1
InChIKeyWZXLZZYGSFTSKR-OYKVQYDMSA-N
MW340.47 g/mol
LogP2.70
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide (PubChem CID 119328654) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
PubChem CID119328654
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)[C@@H](N)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)17-11-9-16(10-12-17)19(24)14-23-20(25)18(22)13-15-7-5-4-6-8-15/h4-12,18-19,24H,13-14,22H2,1-3H3,(H,23,25)/t18-,19?/m0/s1
InChIKeyWZXLZZYGSFTSKR-OYKVQYDMSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
CID 119328661
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
CID 103796488
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119792652
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide (CID 119328654) is (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide is CC(C)(C)c1ccc(C(O)CNC(=O)[C@@H](N)Cc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide?
The InChIKey is WZXLZZYGSFTSKR-OYKVQYDMSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)17-11-9-16(10-12-17)19(24)14-23-20(25)18(22)13-15-7-5-4-6-8-15/h4-12,18-19,24H,13-14,22H2,1-3H3,(H,23,25)/t18-,19?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide is sourced from PubChem (CID 119328654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).