N-[2-(3-ethoxyphenoxy)ethyl]propanamide

C13H19NO3 — CID 113100561

IUPACN-[2-(3-ethoxyphenoxy)ethyl]propanamide
SMILESCCOc1cccc(OCCNC(=O)CC)c1
InChIInChI=1S/C13H19NO3/c1-3-13(15)14-8-9-17-12-7-5-6-11(10-12)16-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyVDHHUWUADIMTJO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds7

About N-[2-(3-ethoxyphenoxy)ethyl]propanamide

N-[2-(3-ethoxyphenoxy)ethyl]propanamide (PubChem CID 113100561) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)ethyl]propanamide
PubChem CID113100561
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[2-(3-ethoxyphenoxy)ethyl]propanamide
SMILESCCOc1cccc(OCCNC(=O)CC)c1
InChIInChI=1S/C13H19NO3/c1-3-13(15)14-8-9-17-12-7-5-6-11(10-12)16-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyVDHHUWUADIMTJO-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
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-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
N-[2-(3-ethoxyphenoxy)ethyl]-2-(2-fluorophenyl)acetamide
CID 113100619
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
CID 113100580
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]propanamide?
The IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]propanamide (CID 113100561) is N-[2-(3-ethoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)ethyl]propanamide is CCOc1cccc(OCCNC(=O)CC)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)ethyl]propanamide?
The InChIKey is VDHHUWUADIMTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-13(15)14-8-9-17-12-7-5-6-11(10-12)16-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(3-ethoxyphenoxy)ethyl]propanamide?
N-[2-(3-ethoxyphenoxy)ethyl]propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 113100561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).