(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride

C15H25ClN2O2 — CID 119703944

IUPAC(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
SMILESCOC(CNC(=O)[C@@H](N)CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)9-13(16)15(18)17-10-14(19-3)12-7-5-4-6-8-12;/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,17,18);1H/t13-,14?;/m0./s1
InChIKeySSPUEYPDTYOGHO-GPFYXIAXSA-N
MW300.83 g/mol
LogP2.29
Rot. Bonds7

About (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride (PubChem CID 119703944) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
PubChem CID119703944
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
SMILESCOC(CNC(=O)[C@@H](N)CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(2)9-13(16)15(18)17-10-14(19-3)12-7-5-4-6-8-12;/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,17,18);1H/t13-,14?;/m0./s1
InChIKeySSPUEYPDTYOGHO-GPFYXIAXSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methoxy-2-phenylethyl)pentanamide
CID 119278905
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
ethyl 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylpropanoate
CID 119805478
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-phenylacetate;hydrochloride
CID 142643304
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
2-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]-3-methoxypropanamide
CID 120990898
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
2-amino-4-methyl-N-(2-phenylsulfanylethyl)pentanamide
CID 54881057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride (CID 119703944) is (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride is COC(CNC(=O)[C@@H](N)CC(C)C)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride?
The InChIKey is SSPUEYPDTYOGHO-GPFYXIAXSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(2)9-13(16)15(18)17-10-14(19-3)12-7-5-4-6-8-12;/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,17,18);1H/t13-,14?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.29, 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-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119703944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).