N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide

C14H21NO3 — CID 47984379

IUPACN-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide
SMILESCOCCOCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-15(12-13-6-4-3-5-7-13)14(16)8-9-18-11-10-17-2/h3-7H,8-12H2,1-2H3
InChIKeyUVCHBNDBEHNKEK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.70
Rot. Bonds8

About N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide

N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide (PubChem CID 47984379) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide
PubChem CID47984379
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide
SMILESCOCCOCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-15(12-13-6-4-3-5-7-13)14(16)8-9-18-11-10-17-2/h3-7H,8-12H2,1-2H3
InChIKeyUVCHBNDBEHNKEK-UHFFFAOYSA-N
XLogP1.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide (CID 47984379) is N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide is COCCOCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide?
The InChIKey is UVCHBNDBEHNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(12-13-6-4-3-5-7-13)14(16)8-9-18-11-10-17-2/h3-7H,8-12H2,1-2H3.
What are the key properties of N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide?
N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide is sourced from PubChem (CID 47984379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).