(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride

C14H23ClN2O — CID 119280650

IUPAC(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
SMILESCCCN(CC)C(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-10-16(4-2)14(17)13(15)11-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyIOSRKJMBDADQNL-ZOWNYOTGSA-N
MW270.80 g/mol
LogP2.24
Rot. Bonds6

About (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride

(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride (PubChem CID 119280650) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
PubChem CID119280650
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
SMILESCCCN(CC)C(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-10-16(4-2)14(17)13(15)11-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,15H2,1-2H3;1H/t13-;/m0./s1
InChIKeyIOSRKJMBDADQNL-ZOWNYOTGSA-N
XLogP2.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-amino-3-(4-carbamimidoylphenyl)-N-ethyl-N-propylpropanamide
CID 142043083
2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119885181
(2S)-2-amino-N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenylpropanamide
CID 119334132
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride (CID 119280650) is (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride is CCCN(CC)C(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride?
The InChIKey is IOSRKJMBDADQNL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-3-10-16(4-2)14(17)13(15)11-12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,15H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride?
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.24, 6 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-3-phenyl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119280650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).