(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide

C18H22N2O — CID 61148945

IUPAC(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H22N2O/c1-3-20(17-12-8-7-9-14(17)2)18(21)16(19)13-15-10-5-4-6-11-15/h4-12,16H,3,13,19H2,1-2H3/t16-/m0/s1
InChIKeyLKRFXKQLWGFMGT-INIZCTEOSA-N
MW282.39 g/mol
LogP2.92
Rot. Bonds5

About (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide

(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide (PubChem CID 61148945) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
PubChem CID61148945
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H22N2O/c1-3-20(17-12-8-7-9-14(17)2)18(21)16(19)13-15-10-5-4-6-11-15/h4-12,16H,3,13,19H2,1-2H3/t16-/m0/s1
InChIKeyLKRFXKQLWGFMGT-INIZCTEOSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-ethyl-4-methoxy-N-(2-methylphenyl)butanamide
CID 62472432
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
3-(N-[(2S)-2-aminobutanoyl]-2-methylanilino)propanoic acid
CID 79023548
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119334132
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide (CID 61148945) is (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide is CCN(C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1C.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide?
The InChIKey is LKRFXKQLWGFMGT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(17-12-8-7-9-14(17)2)18(21)16(19)13-15-10-5-4-6-11-15/h4-12,16H,3,13,19H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide?
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 61148945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).