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

C15H25ClN2O3 — CID 119723323

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cccc(OCCOC)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-12(10-16-2)15(18)17-11-13-5-4-6-14(9-13)20-8-7-19-3;/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18);1H
InChIKeyNUUVDIDQDWACMZ-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.61
Rot. Bonds9

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

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119723323) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119723323
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cccc(OCCOC)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-12(10-16-2)15(18)17-11-13-5-4-6-14(9-13)20-8-7-19-3;/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18);1H
InChIKeyNUUVDIDQDWACMZ-UHFFFAOYSA-N
XLogP1.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.61
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

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87005494
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187724
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119723323) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCc1cccc(OCCOC)c1.Cl.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is NUUVDIDQDWACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-12(10-16-2)15(18)17-11-13-5-4-6-14(9-13)20-8-7-19-3;/h4-6,9,12,16H,7-8,10-11H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119723323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).