(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride

C15H25ClN2O2 — CID 119327618

IUPAC(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
SMILESCCC(CCO)CNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-12(8-9-18)11-17-15(19)14(16)10-13-6-4-3-5-7-13;/h3-7,12,14,18H,2,8-11,16H2,1H3,(H,17,19);1H/t12?,14-;/m0./s1
InChIKeyFXKAODFMAVBXSY-KQYRMMKASA-N
MW300.83 g/mol
LogP1.50
Rot. Bonds8

About (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119327618) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
PubChem CID119327618
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
SMILESCCC(CCO)CNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-12(8-9-18)11-17-15(19)14(16)10-13-6-4-3-5-7-13;/h3-7,12,14,18H,2,8-11,16H2,1H3,(H,17,19);1H/t12?,14-;/m0./s1
InChIKeyFXKAODFMAVBXSY-KQYRMMKASA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
CID 114350596
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]pentanoic acid
CID 65223842
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride (CID 119327618) is (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride is CCC(CCO)CNC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is FXKAODFMAVBXSY-KQYRMMKASA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-2-12(8-9-18)11-17-15(19)14(16)10-13-6-4-3-5-7-13;/h3-7,12,14,18H,2,8-11,16H2,1H3,(H,17,19);1H/t12?,14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.50, 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-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119327618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).