(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride

C12H19ClN2O3 — CID 119289412

IUPAC(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-9(13)12(15)14-10-4-3-5-11(8-10)17-7-6-16-2;/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15);1H/t9-;/m0./s1
InChIKeyYSWOIIAIZGKXKV-FVGYRXGTSA-N
MW274.75 g/mol
LogP1.42
Rot. Bonds6

About (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119289412) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
PubChem CID119289412
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-9(13)12(15)14-10-4-3-5-11(8-10)17-7-6-16-2;/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15);1H/t9-;/m0./s1
InChIKeyYSWOIIAIZGKXKV-FVGYRXGTSA-N
XLogP1.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
2-amino-N-[3-(3-methoxypropoxy)phenyl]-2-(4-methylphenyl)acetamide
CID 120669115
3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119723463

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride (CID 119289412) is (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride is COCCOc1cccc(NC(=O)[C@H](C)N)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is YSWOIIAIZGKXKV-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H18N2O3.ClH/c1-9(13)12(15)14-10-4-3-5-11(8-10)17-7-6-16-2;/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 1.42, 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-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119289412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).