N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide

C14H21NO3 — CID 100569556

IUPACN-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
SMILESCCOc1ccc(CCCNC(=O)COC)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)5-4-10-15-14(16)11-17-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyVOJNBYJQTBAGTH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds8

About N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide

N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide (PubChem CID 100569556) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
PubChem CID100569556
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
SMILESCCOc1ccc(CCCNC(=O)COC)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)5-4-10-15-14(16)11-17-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyVOJNBYJQTBAGTH-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
3-[4-(4-ethoxyphenyl)butanoylamino]propanoic acid
CID 82224413
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
N-[2-(4-ethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168009
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide (CID 100569556) is N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide is CCOc1ccc(CCCNC(=O)COC)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide?
The InChIKey is VOJNBYJQTBAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)5-4-10-15-14(16)11-17-2/h6-9H,3-5,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide?
N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide is sourced from PubChem (CID 100569556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).