2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide

C16H25NO3 — CID 103602434

IUPAC2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)COCCOC
InChIInChI=1S/C16H25NO3/c1-4-9-17(16(18)13-20-11-10-19-3)12-15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeyRVMYOOVWENVROA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.40
Rot. Bonds9

About 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide

2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide (PubChem CID 103602434) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
PubChem CID103602434
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)COCCOC
InChIInChI=1S/C16H25NO3/c1-4-9-17(16(18)13-20-11-10-19-3)12-15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeyRVMYOOVWENVROA-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.40
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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Related Compounds

N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-N-(4-methylphenyl)acetamide
CID 143038199
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345553
3-[butanoyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82323385
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289469
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678967

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide (CID 103602434) is 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide is CCCN(Cc1ccc(C)cc1)C(=O)COCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The InChIKey is RVMYOOVWENVROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-9-17(16(18)13-20-11-10-19-3)12-15-7-5-14(2)6-8-15/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide?
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide has a molecular weight of 279.38 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 103602434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).