N-ethyl-3-octadecoxypropanamide

C23H47NO2 — CID 169179965

IUPACN-ethyl-3-octadecoxypropanamide
SMILESCCCCCCCCCCCCCCCCCCOCCC(=O)NCC
InChIInChI=1S/C23H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23(25)24-4-2/h3-22H2,1-2H3,(H,24,25)
InChIKeyCLNFESIQGFJXIH-UHFFFAOYSA-N
MW369.63 g/mol
LogP6.79
Rot. Bonds21

About N-ethyl-3-octadecoxypropanamide

N-ethyl-3-octadecoxypropanamide (PubChem CID 169179965) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is N-ethyl-3-octadecoxypropanamide.

Molecular Properties

Compound NameN-ethyl-3-octadecoxypropanamide
PubChem CID169179965
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC NameN-ethyl-3-octadecoxypropanamide
SMILESCCCCCCCCCCCCCCCCCCOCCC(=O)NCC
InChIInChI=1S/C23H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23(25)24-4-2/h3-22H2,1-2H3,(H,24,25)
InChIKeyCLNFESIQGFJXIH-UHFFFAOYSA-N
XLogP6.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.79
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

N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-ethyl-3-[2-[2-[2-[2-(hexylideneamino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 153336658
3-ethoxy-N-ethylpropanamide
CID 58030283
N-ethyl-3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 164717500
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
4-nonoxybutan-2-one
CID 175477614
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-octadecoxypropanamide?
The IUPAC name of N-ethyl-3-octadecoxypropanamide (CID 169179965) is N-ethyl-3-octadecoxypropanamide.
What is the SMILES notation for N-ethyl-3-octadecoxypropanamide?
The canonical SMILES for N-ethyl-3-octadecoxypropanamide is CCCCCCCCCCCCCCCCCCOCCC(=O)NCC.
What is the InChIKey of N-ethyl-3-octadecoxypropanamide?
The InChIKey is CLNFESIQGFJXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-23(25)24-4-2/h3-22H2,1-2H3,(H,24,25).
What are the key properties of N-ethyl-3-octadecoxypropanamide?
N-ethyl-3-octadecoxypropanamide has a molecular weight of 369.63 g/mol, XLogP of 6.79, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-octadecoxypropanamide is sourced from PubChem (CID 169179965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).