(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide

C20H26N2O2 — CID 119334132

IUPAC(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-22(14-19(23)17-11-9-15(2)10-12-17)20(24)18(21)13-16-7-5-4-6-8-16/h4-12,18-19,23H,3,13-14,21H2,1-2H3/t18-,19?/m0/s1
InChIKeyZGHXGTOOWBLKTB-OYKVQYDMSA-N
MW326.44 g/mol
LogP2.45
Rot. Bonds7

About (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide

(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 119334132) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
PubChem CID119334132
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C20H26N2O2/c1-3-22(14-19(23)17-11-9-15(2)10-12-17)20(24)18(21)13-16-7-5-4-6-8-16/h4-12,18-19,23H,3,13-14,21H2,1-2H3/t18-,19?/m0/s1
InChIKeyZGHXGTOOWBLKTB-OYKVQYDMSA-N
XLogP2.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119334130
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 119334134
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide (CID 119334132) is (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide is CCN(CC(O)c1ccc(C)cc1)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is ZGHXGTOOWBLKTB-OYKVQYDMSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-22(14-19(23)17-11-9-15(2)10-12-17)20(24)18(21)13-16-7-5-4-6-8-16/h4-12,18-19,23H,3,13-14,21H2,1-2H3/t18-,19?/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119334132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).