N-[3-(2-aminoethoxy)propyl]dodecanamide

C17H36N2O2 — CID 106307810

IUPACN-[3-(2-aminoethoxy)propyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCOCCN
InChIInChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-12-17(20)19-14-11-15-21-16-13-18/h2-16,18H2,1H3,(H,19,20)
InChIKeyHMVZGFHHNOIIQC-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.39
Rot. Bonds16

About N-[3-(2-aminoethoxy)propyl]dodecanamide

N-[3-(2-aminoethoxy)propyl]dodecanamide (PubChem CID 106307810) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]dodecanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]dodecanamide
PubChem CID106307810
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-[3-(2-aminoethoxy)propyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCOCCN
InChIInChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-12-17(20)19-14-11-15-21-16-13-18/h2-16,18H2,1H3,(H,19,20)
InChIKeyHMVZGFHHNOIIQC-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
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-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
CID 166636671
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
N-(2-aminoethyl)nonanamide
CID 13028008
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]dodecanamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]dodecanamide (CID 106307810) is N-[3-(2-aminoethoxy)propyl]dodecanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]dodecanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]dodecanamide is CCCCCCCCCCCC(=O)NCCCOCCN.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]dodecanamide?
The InChIKey is HMVZGFHHNOIIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-12-17(20)19-14-11-15-21-16-13-18/h2-16,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)propyl]dodecanamide?
N-[3-(2-aminoethoxy)propyl]dodecanamide has a molecular weight of 300.49 g/mol, XLogP of 3.39, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]dodecanamide is sourced from PubChem (CID 106307810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).