3-(2-ethoxyphenyl)-N-pentylpropanamide

C16H25NO2 — CID 78805290

IUPAC3-(2-ethoxyphenyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccccc1OCC
InChIInChI=1S/C16H25NO2/c1-3-5-8-13-17-16(18)12-11-14-9-6-7-10-15(14)19-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,17,18)
InChIKeyNMBQJFPEMYRHLL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds9

About 3-(2-ethoxyphenyl)-N-pentylpropanamide

3-(2-ethoxyphenyl)-N-pentylpropanamide (PubChem CID 78805290) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-pentylpropanamide
PubChem CID78805290
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(2-ethoxyphenyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1ccccc1OCC
InChIInChI=1S/C16H25NO2/c1-3-5-8-13-17-16(18)12-11-14-9-6-7-10-15(14)19-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,17,18)
InChIKeyNMBQJFPEMYRHLL-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
3-[2-(4-chlorobutoxy)phenyl]-N-octadecylpropanamide
CID 18520271
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100601540
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
N-[3-[iodo(methyl)amino]propyl]-3-(2-octoxyphenyl)propanamide
CID 163824215
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-pentylpropanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-pentylpropanamide (CID 78805290) is 3-(2-ethoxyphenyl)-N-pentylpropanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-pentylpropanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-pentylpropanamide is CCCCCNC(=O)CCc1ccccc1OCC.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-pentylpropanamide?
The InChIKey is NMBQJFPEMYRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-8-13-17-16(18)12-11-14-9-6-7-10-15(14)19-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-ethoxyphenyl)-N-pentylpropanamide?
3-(2-ethoxyphenyl)-N-pentylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-pentylpropanamide is sourced from PubChem (CID 78805290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).