N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide

C24H49N3O2 — CID 102116491

IUPACN-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
SMILESCCCCCCCC(=O)NC(C)CN(CC)CC(C)NC(=O)CCCCCCC
InChIInChI=1S/C24H49N3O2/c1-6-9-11-13-15-17-23(28)25-21(4)19-27(8-3)20-22(5)26-24(29)18-16-14-12-10-7-2/h21-22H,6-20H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyMXXOLTINGATHRQ-UHFFFAOYSA-N
MW411.68 g/mol
LogP5.04
Rot. Bonds19

About N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide

N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide (PubChem CID 102116491) has the molecular formula C24H49N3O2 and a molecular weight of 411.68 g/mol. Its IUPAC name is N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide.

Molecular Properties

Compound NameN-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
PubChem CID102116491
Molecular FormulaC24H49N3O2
Molecular Weight411.68 g/mol
Exact Mass411.38
IUPAC NameN-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
SMILESCCCCCCCC(=O)NC(C)CN(CC)CC(C)NC(=O)CCCCCCC
InChIInChI=1S/C24H49N3O2/c1-6-9-11-13-15-17-23(28)25-21(4)19-27(8-3)20-22(5)26-24(29)18-16-14-12-10-7-2/h21-22H,6-20H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyMXXOLTINGATHRQ-UHFFFAOYSA-N
XLogP5.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
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

(E)-N-[1-[ethyl-[2-[[(E)-oct-6-enoyl]amino]propyl]amino]propan-2-yl]oct-6-enamide
CID 102116556
N-pentan-2-ylundecanamide
CID 173258559
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664
N-butan-2-ylnonanamide
CID 4188803
N-heptan-2-yldodecanamide
CID 3484810
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
3-(heptanoylamino)butanoic acid
CID 43360958
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-[1-(diethylamino)ethyl]dodecanamide
CID 23447206
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide?
The IUPAC name of N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide (CID 102116491) is N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide.
What is the SMILES notation for N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide?
The canonical SMILES for N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide is CCCCCCCC(=O)NC(C)CN(CC)CC(C)NC(=O)CCCCCCC.
What is the InChIKey of N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide?
The InChIKey is MXXOLTINGATHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O2/c1-6-9-11-13-15-17-23(28)25-21(4)19-27(8-3)20-22(5)26-24(29)18-16-14-12-10-7-2/h21-22H,6-20H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide?
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide has a molecular weight of 411.68 g/mol, XLogP of 5.04, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide is sourced from PubChem (CID 102116491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).