3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide

C15H24N2O3 — CID 63057423

IUPAC3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCOCCNCc1cccc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-17(2)15(18)7-9-20-14-6-4-5-13(11-14)12-16-8-10-19-3/h4-6,11,16H,7-10,12H2,1-3H3
InChIKeyYQIVNBSLDSTNJZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.28
Rot. Bonds9

About 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide

3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide (PubChem CID 63057423) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
PubChem CID63057423
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
SMILESCOCCNCc1cccc(OCCC(=O)N(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-17(2)15(18)7-9-20-14-6-4-5-13(11-14)12-16-8-10-19-3/h4-6,11,16H,7-10,12H2,1-3H3
InChIKeyYQIVNBSLDSTNJZ-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
3-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethylpropanamide
CID 66349314
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
CID 54896362
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057420
methyl 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide (CID 63057423) is 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide is COCCNCc1cccc(OCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
The InChIKey is YQIVNBSLDSTNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(2)15(18)7-9-20-14-6-4-5-13(11-14)12-16-8-10-19-3/h4-6,11,16H,7-10,12H2,1-3H3.
What are the key properties of 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide?
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 63057423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).