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

C13H21ClN2O3 — CID 119289322

IUPAC3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCOCCOc1cccc(CNC(=O)CCN)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-17-7-8-18-12-4-2-3-11(9-12)10-15-13(16)5-6-14;/h2-4,9H,5-8,10,14H2,1H3,(H,15,16);1H
InChIKeyGEDGZOIUOQVKAW-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.10
Rot. Bonds8

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

3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119289322) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
PubChem CID119289322
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESCOCCOc1cccc(CNC(=O)CCN)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-17-7-8-18-12-4-2-3-11(9-12)10-15-13(16)5-6-14;/h2-4,9H,5-8,10,14H2,1H3,(H,15,16);1H
InChIKeyGEDGZOIUOQVKAW-UHFFFAOYSA-N
XLogP1.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.10
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

2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829840
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-phenothiazin-10-ylpropanamide
CID 55804446
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723323
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
2-[(2-chlorophenyl)methoxy]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55801251
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride (CID 119289322) is 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride is COCCOc1cccc(CNC(=O)CCN)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is GEDGZOIUOQVKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-17-7-8-18-12-4-2-3-11(9-12)10-15-13(16)5-6-14;/h2-4,9H,5-8,10,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride?
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119289322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).