N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide

C15H24N2O3 — CID 75444272

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-17(2)14-7-5-13(6-8-14)11-16-15(18)12-20-10-4-9-19-3/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyQWCOOSOAYKDEMZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.42
Rot. Bonds9

About N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide (PubChem CID 75444272) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide
PubChem CID75444272
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-17(2)14-7-5-13(6-8-14)11-16-15(18)12-20-10-4-9-19-3/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyQWCOOSOAYKDEMZ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxypentanamide
CID 81088409
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9081034
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 9200040
2-(2-methoxyethoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 103606582
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519187
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202943

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide (CID 75444272) is N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide is COCCCOCC(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide?
The InChIKey is QWCOOSOAYKDEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-17(2)14-7-5-13(6-8-14)11-16-15(18)12-20-10-4-9-19-3/h5-8H,4,9-12H2,1-3H3,(H,16,18).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methoxypropoxy)acetamide is sourced from PubChem (CID 75444272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).