N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide

C19H27NO7 — CID 2724804

IUPACN-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C19H27NO7/c1-2-19(21)20-16-3-4-17-18(15-16)27-14-12-25-10-8-23-6-5-22-7-9-24-11-13-26-17/h2-4,15H,1,5-14H2,(H,20,21)
InChIKeyUGHKKCVGQTWASH-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.65
Rot. Bonds2

About N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide

N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide (PubChem CID 2724804) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide
PubChem CID2724804
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC NameN-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C19H27NO7/c1-2-19(21)20-16-3-4-17-18(15-16)27-14-12-25-10-8-23-6-5-22-7-9-24-11-13-26-17/h2-4,15H,1,5-14H2,(H,20,21)
InChIKeyUGHKKCVGQTWASH-UHFFFAOYSA-N
XLogP1.65
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
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CID 3943211
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
N-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]phenyl]prop-2-enamide
CID 146600047
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90480693
trans-(1S,2S)-1-N,2-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 11881118
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enamide
CID 78906680
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-3-propylurea
CID 102256223
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787

Frequently Asked Questions

What is the IUPAC name of N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide?
The IUPAC name of N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide (CID 2724804) is N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide.
What is the SMILES notation for N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide?
The canonical SMILES for N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2.
What is the InChIKey of N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide?
The InChIKey is UGHKKCVGQTWASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO7/c1-2-19(21)20-16-3-4-17-18(15-16)27-14-12-25-10-8-23-6-5-22-7-9-24-11-13-26-17/h2-4,15H,1,5-14H2,(H,20,21).
What are the key properties of N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide?
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide has a molecular weight of 381.43 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-enamide is sourced from PubChem (CID 2724804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).