2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide

C26H34N2O6 — CID 4869280

IUPAC2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC1(C)CCc2c(cc(OCC(=O)NCCCN3CCOCC3)c3c4c(c(=O)oc23)CCC4)O1
InChIInChI=1S/C26H34N2O6/c1-26(2)8-7-19-20(34-26)15-21(23-17-5-3-6-18(17)25(30)33-24(19)23)32-16-22(29)27-9-4-10-28-11-13-31-14-12-28/h15H,3-14,16H2,1-2H3,(H,27,29)
InChIKeyMTDYZSIDIYVVGY-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.60
Rot. Bonds7

About 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 4869280) has the molecular formula C26H34N2O6 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID4869280
Molecular FormulaC26H34N2O6
Molecular Weight470.57 g/mol
Exact Mass470.24
IUPAC Name2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC1(C)CCc2c(cc(OCC(=O)NCCCN3CCOCC3)c3c4c(c(=O)oc23)CCC4)O1
InChIInChI=1S/C26H34N2O6/c1-26(2)8-7-19-20(34-26)15-21(23-17-5-3-6-18(17)25(30)33-24(19)23)32-16-22(29)27-9-4-10-28-11-13-31-14-12-28/h15H,3-14,16H2,1-2H3,(H,27,29)
InChIKeyMTDYZSIDIYVVGY-UHFFFAOYSA-N
XLogP2.60
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide with MolForge

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Related Compounds

3-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]propyl-dimethylazanium
CID 7096756
2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7096964
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
CID 4967997
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4911782
(2S)-2-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]butanoic acid
CID 40853879
2-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]-3-methylpentanoic acid
CID 73256672
N-(oxolan-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
CID 4967747
N-(3-morpholin-4-ylpropyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 4908914
3-[[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propanoic acid
CID 4839256
2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 4910162
2-[[2-[(4,8,8-trimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]acetate
CID 7094831
3-[[2-[(8,8-dimethyl-2-oxo-4-propyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propanoic acid
CID 8015910

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide (CID 4869280) is 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide is CC1(C)CCc2c(cc(OCC(=O)NCCCN3CCOCC3)c3c4c(c(=O)oc23)CCC4)O1.
What is the InChIKey of 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is MTDYZSIDIYVVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6/c1-26(2)8-7-19-20(34-26)15-21(23-17-5-3-6-18(17)25(30)33-24(19)23)32-16-22(29)27-9-4-10-28-11-13-31-14-12-28/h15H,3-14,16H2,1-2H3,(H,27,29).
What are the key properties of 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 470.57 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 4869280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).