N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide

C24H39NO6 — CID 100923504

IUPACN-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C24H39NO6/c1-2-3-4-5-6-7-8-9-24(26)25-21-10-11-22-23(20-21)31-19-17-29-15-13-27-12-14-28-16-18-30-22/h10-11,20H,2-9,12-19H2,1H3,(H,25,26)
InChIKeyKUPVUNDFRPNQBQ-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.59
Rot. Bonds9

About N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide

N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide (PubChem CID 100923504) has the molecular formula C24H39NO6 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide.

Molecular Properties

Compound NameN-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
PubChem CID100923504
Molecular FormulaC24H39NO6
Molecular Weight437.58 g/mol
Exact Mass437.28
IUPAC NameN-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C24H39NO6/c1-2-3-4-5-6-7-8-9-24(26)25-21-10-11-22-23(20-21)31-19-17-29-15-13-27-12-14-28-16-18-30-22/h10-11,20H,2-9,12-19H2,1H3,(H,25,26)
InChIKeyKUPVUNDFRPNQBQ-UHFFFAOYSA-N
XLogP4.59
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141358
1-(1,3-benzodioxol-5-yl)-3-(dodecanoylamino)urea
CID 17268294
2-butylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 31848144
2-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43236461
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
CID 102256223
N-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 22776341

Frequently Asked Questions

What is the IUPAC name of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide?
The IUPAC name of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide (CID 100923504) is N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide.
What is the SMILES notation for N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide?
The canonical SMILES for N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide is CCCCCCCCCC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2.
What is the InChIKey of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide?
The InChIKey is KUPVUNDFRPNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO6/c1-2-3-4-5-6-7-8-9-24(26)25-21-10-11-22-23(20-21)31-19-17-29-15-13-27-12-14-28-16-18-30-22/h10-11,20H,2-9,12-19H2,1H3,(H,25,26).
What are the key properties of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide?
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide has a molecular weight of 437.58 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide is sourced from PubChem (CID 100923504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).