N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide

C23H45NO4 — CID 145049534

IUPACN-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C23H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(26)24-17-20-28-22-21-27-19-15-18-25/h18H,2-17,19-22H2,1H3,(H,24,26)
InChIKeyYKANORUSLQMVSJ-UHFFFAOYSA-N
MW399.62 g/mol
LogP5.21
Rot. Bonds23

About N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide

N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide (PubChem CID 145049534) has the molecular formula C23H45NO4 and a molecular weight of 399.62 g/mol. Its IUPAC name is N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
PubChem CID145049534
Molecular FormulaC23H45NO4
Molecular Weight399.62 g/mol
Exact Mass399.33
IUPAC NameN-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C23H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(26)24-17-20-28-22-21-27-19-15-18-25/h18H,2-17,19-22H2,1H3,(H,24,26)
InChIKeyYKANORUSLQMVSJ-UHFFFAOYSA-N
XLogP5.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-[2-[2-[2-(3-ethyliminopropoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 153336650
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-(3-oxopropyl)octanamide
CID 163482929
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
CID 102485842
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide?
The IUPAC name of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide (CID 145049534) is N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide.
What is the SMILES notation for N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide?
The canonical SMILES for N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCOCCOCCC=O.
What is the InChIKey of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide?
The InChIKey is YKANORUSLQMVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(26)24-17-20-28-22-21-27-19-15-18-25/h18H,2-17,19-22H2,1H3,(H,24,26).
What are the key properties of N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide?
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide has a molecular weight of 399.62 g/mol, XLogP of 5.21, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide is sourced from PubChem (CID 145049534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).