11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one

C24H25NO8 — CID 122522894

IUPAC11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
SMILESCOc1ccc(C2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)c(OC)c1OC
InChIInChI=1S/C24H25NO8/c1-28-17-5-4-13(22(29-2)23(17)30-3)20-14-10-18-19(32-9-8-31-18)11-15(14)25(6-7-26)16-12-33-24(27)21(16)20/h4-5,10-11,20,26H,6-9,12H2,1-3H3
InChIKeyGFWOXFXDUFNJCH-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.24
Rot. Bonds6

About 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one

11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one (PubChem CID 122522894) has the molecular formula C24H25NO8 and a molecular weight of 455.46 g/mol. Its IUPAC name is 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one.

Molecular Properties

Compound Name11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
PubChem CID122522894
Molecular FormulaC24H25NO8
Molecular Weight455.46 g/mol
Exact Mass455.16
IUPAC Name11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
SMILESCOc1ccc(C2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)c(OC)c1OC
InChIInChI=1S/C24H25NO8/c1-28-17-5-4-13(22(29-2)23(17)30-3)20-14-10-18-19(32-9-8-31-18)11-15(14)25(6-7-26)16-12-33-24(27)21(16)20/h4-5,10-11,20,26H,6-9,12H2,1-3H3
InChIKeyGFWOXFXDUFNJCH-UHFFFAOYSA-N
XLogP2.24
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one with MolForge

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Related Compounds

2-(2-hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one
CID 54579201
9-(3-fluorophenyl)-4-(2-hydroxyethyl)-7-methoxy-3,9-dihydrofuro[3,4-b]quinolin-1-one
CID 155351590
(10S)-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 42549341
2-(4-nitrophenyl)phosphanyl-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 138456098
1-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 6496414
(4S)-1-(4-methylphenyl)-4-(2,3,4-trimethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426316
(10R)-10-(2,3-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879553
(3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 666976
(3aS,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7167582
8-(6,7-dimethoxy-1,3-benzodioxol-4-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 51138441
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 99743767
(8S)-8-(2,3-dimethoxyphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 8892603

Frequently Asked Questions

What is the IUPAC name of 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The IUPAC name of 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one (CID 122522894) is 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one.
What is the SMILES notation for 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The canonical SMILES for 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one is COc1ccc(C2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCCO4)c(OC)c1OC.
What is the InChIKey of 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The InChIKey is GFWOXFXDUFNJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO8/c1-28-17-5-4-13(22(29-2)23(17)30-3)20-14-10-18-19(32-9-8-31-18)11-15(14)25(6-7-26)16-12-33-24(27)21(16)20/h4-5,10-11,20,26H,6-9,12H2,1-3H3.
What are the key properties of 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one has a molecular weight of 455.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hydroxyethyl)-17-(2,3,4-trimethoxyphenyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one is sourced from PubChem (CID 122522894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).