(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride

C13H21ClN2O3 — CID 119278486

IUPAC(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCc1cc(OC)ccc1OC.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-4-11(14)13(16)15-8-9-7-10(17-2)5-6-12(9)18-3;/h5-7,11H,4,8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyNHXQHMINHAYACC-MERQFXBCSA-N
MW288.78 g/mol
LogP1.48
Rot. Bonds6

About (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride

(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride (PubChem CID 119278486) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
PubChem CID119278486
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NCc1cc(OC)ccc1OC.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-4-11(14)13(16)15-8-9-7-10(17-2)5-6-12(9)18-3;/h5-7,11H,4,8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyNHXQHMINHAYACC-MERQFXBCSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666975
(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33101422
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119816353
2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride
CID 119956336
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
2-(diethylamino)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylacetamide
CID 56540402
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
(2R)-2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 92864173
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride (CID 119278486) is (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NCc1cc(OC)ccc1OC.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride?
The InChIKey is NHXQHMINHAYACC-MERQFXBCSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-4-11(14)13(16)15-8-9-7-10(17-2)5-6-12(9)18-3;/h5-7,11H,4,8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride?
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119278486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).