N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide

C24H49N3O2 — CID 102116497

IUPACN-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
SMILESCCCCCCCC(=O)NCCCN(CC)CCCNC(=O)CCCCCCC
InChIInChI=1S/C24H49N3O2/c1-4-7-9-11-13-17-23(28)25-19-15-21-27(6-3)22-16-20-26-24(29)18-14-12-10-8-5-2/h4-22H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLXNCWRSHFIUMGN-UHFFFAOYSA-N
MW411.68 g/mol
LogP5.04
Rot. Bonds21

About N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide

N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide (PubChem CID 102116497) has the molecular formula C24H49N3O2 and a molecular weight of 411.68 g/mol. Its IUPAC name is N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide.

Molecular Properties

Compound NameN-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
PubChem CID102116497
Molecular FormulaC24H49N3O2
Molecular Weight411.68 g/mol
Exact Mass411.38
IUPAC NameN-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
SMILESCCCCCCCC(=O)NCCCN(CC)CCCNC(=O)CCCCCCC
InChIInChI=1S/C24H49N3O2/c1-4-7-9-11-13-17-23(28)25-19-15-21-27(6-3)22-16-20-26-24(29)18-14-12-10-8-5-2/h4-22H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyLXNCWRSHFIUMGN-UHFFFAOYSA-N
XLogP5.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.68
LogP ≤ 55.04
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-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide?
The IUPAC name of N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide (CID 102116497) is N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide.
What is the SMILES notation for N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide?
The canonical SMILES for N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide is CCCCCCCC(=O)NCCCN(CC)CCCNC(=O)CCCCCCC.
What is the InChIKey of N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide?
The InChIKey is LXNCWRSHFIUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O2/c1-4-7-9-11-13-17-23(28)25-19-15-21-27(6-3)22-16-20-26-24(29)18-14-12-10-8-5-2/h4-22H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide?
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide has a molecular weight of 411.68 g/mol, XLogP of 5.04, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide is sourced from PubChem (CID 102116497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).