N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide

C27H56N4O3 — CID 11569923

IUPACN-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide
SMILESCCCCCCCCCCCCCCCCCCNCCC(=O)NCC(=O)NCCOCCN
InChIInChI=1S/C27H56N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-21-18-26(32)31-25-27(33)30-22-24-34-23-19-28/h29H,2-25,28H2,1H3,(H,30,33)(H,31,32)
InChIKeyYKZVGCGAFPAOBV-UHFFFAOYSA-N
MW484.77 g/mol
LogP4.44
Rot. Bonds27

About N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide

N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide (PubChem CID 11569923) has the molecular formula C27H56N4O3 and a molecular weight of 484.77 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide
PubChem CID11569923
Molecular FormulaC27H56N4O3
Molecular Weight484.77 g/mol
Exact Mass484.44
IUPAC NameN-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide
SMILESCCCCCCCCCCCCCCCCCCNCCC(=O)NCC(=O)NCCOCCN
InChIInChI=1S/C27H56N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-21-18-26(32)31-25-27(33)30-22-24-34-23-19-28/h29H,2-25,28H2,1H3,(H,30,33)(H,31,32)
InChIKeyYKZVGCGAFPAOBV-UHFFFAOYSA-N
XLogP4.44
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.77
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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
N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide
CID 11699408
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
CID 166636671
N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
CID 102194596
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide (CID 11569923) is N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide is CCCCCCCCCCCCCCCCCCNCCC(=O)NCC(=O)NCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide?
The InChIKey is YKZVGCGAFPAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-21-18-26(32)31-25-27(33)30-22-24-34-23-19-28/h29H,2-25,28H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide?
N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide has a molecular weight of 484.77 g/mol, XLogP of 4.44, 27 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide is sourced from PubChem (CID 11569923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).