N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride

C13H21ClN2O2 — CID 120507366

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)N[C@@H](C)CN)cc1C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9-4-5-12(6-10(9)2)17-8-13(16)15-11(3)7-14;/h4-6,11H,7-8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyVNOVFQORFXNYJH-MERQFXBCSA-N
MW272.78 g/mol
LogP1.57
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride (PubChem CID 120507366) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
PubChem CID120507366
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)N[C@@H](C)CN)cc1C.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9-4-5-12(6-10(9)2)17-8-13(16)15-11(3)7-14;/h4-6,11H,7-8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1
InChIKeyVNOVFQORFXNYJH-MERQFXBCSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43405748
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-methylpentanoate
CID 86977054
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 120506340
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
N-[(2S)-1-aminopropan-2-yl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 120507649
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride (CID 120507366) is N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride is Cc1ccc(OCC(=O)N[C@@H](C)CN)cc1C.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
The InChIKey is VNOVFQORFXNYJH-MERQFXBCSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-9-4-5-12(6-10(9)2)17-8-13(16)15-11(3)7-14;/h4-6,11H,7-8,14H2,1-3H3,(H,15,16);1H/t11-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120507366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).