N-(3-ethyloctan-3-yloxy)propanamide

C13H27NO2 — CID 154629166

IUPACN-(3-ethyloctan-3-yloxy)propanamide
SMILESCCCCCC(CC)(CC)ONC(=O)CC
InChIInChI=1S/C13H27NO2/c1-5-9-10-11-13(7-3,8-4)16-14-12(15)6-2/h5-11H2,1-4H3,(H,14,15)
InChIKeyGWAHCEZHQFLHQX-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.58
Rot. Bonds9

About N-(3-ethyloctan-3-yloxy)propanamide

N-(3-ethyloctan-3-yloxy)propanamide (PubChem CID 154629166) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-ethyloctan-3-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-ethyloctan-3-yloxy)propanamide
PubChem CID154629166
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-ethyloctan-3-yloxy)propanamide
SMILESCCCCCC(CC)(CC)ONC(=O)CC
InChIInChI=1S/C13H27NO2/c1-5-9-10-11-13(7-3,8-4)16-14-12(15)6-2/h5-11H2,1-4H3,(H,14,15)
InChIKeyGWAHCEZHQFLHQX-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyloctan-3-yl butanoate
CID 154020166
3-ethyl-3-hydroperoxytridecane
CID 140733477
3-ethyloctan-3-yl hexadecanoate
CID 141194185
3-ethyloctan-3-yl 2-sulfanylacetate
CID 57294027
N-butoxypropanamide
CID 86250289
N-(3-ethylhexan-3-yloxy)prop-2-enamide
CID 174586112
N-nonan-5-yloxypropanamide
CID 140841027
3-ethyl-3-methoxydecane
CID 89190150
9-octyloctadecan-9-yl acetate
CID 87256953
fluoro(6-pentylundecan-6-yloxy)borinic acid
CID 173186066
13-dodecylpentacosan-13-yl acetate
CID 57064481
3-butoxy-3-ethyloctane
CID 156635634

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyloctan-3-yloxy)propanamide?
The IUPAC name of N-(3-ethyloctan-3-yloxy)propanamide (CID 154629166) is N-(3-ethyloctan-3-yloxy)propanamide.
What is the SMILES notation for N-(3-ethyloctan-3-yloxy)propanamide?
The canonical SMILES for N-(3-ethyloctan-3-yloxy)propanamide is CCCCCC(CC)(CC)ONC(=O)CC.
What is the InChIKey of N-(3-ethyloctan-3-yloxy)propanamide?
The InChIKey is GWAHCEZHQFLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-9-10-11-13(7-3,8-4)16-14-12(15)6-2/h5-11H2,1-4H3,(H,14,15).
What are the key properties of N-(3-ethyloctan-3-yloxy)propanamide?
N-(3-ethyloctan-3-yloxy)propanamide has a molecular weight of 229.36 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyloctan-3-yloxy)propanamide is sourced from PubChem (CID 154629166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).