N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide

C14H21NO3 — CID 46885284

IUPACN-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(OC)cc1CCCNC(C)=O
InChIInChI=1S/C14H21NO3/c1-4-18-14-8-7-13(17-3)10-12(14)6-5-9-15-11(2)16/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyGTXCCVOUHCBPES-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds7

About N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide

N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide (PubChem CID 46885284) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide
PubChem CID46885284
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide
SMILESCCOc1ccc(OC)cc1CCCNC(C)=O
InChIInChI=1S/C14H21NO3/c1-4-18-14-8-7-13(17-3)10-12(14)6-5-9-15-11(2)16/h7-8,10H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyGTXCCVOUHCBPES-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide?
The IUPAC name of N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide (CID 46885284) is N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide is CCOc1ccc(OC)cc1CCCNC(C)=O.
What is the InChIKey of N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide?
The InChIKey is GTXCCVOUHCBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-14-8-7-13(17-3)10-12(14)6-5-9-15-11(2)16/h7-8,10H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide?
N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxy-5-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 46885284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).