20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione

C32H45N5O6 — CID 123215263

IUPAC20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione
SMILESCOC1C=Cc2cc3cc(ccc3cn2)C(C)NC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)OCOCC1C
InChIInChI=1S/C32H45N5O6/c1-19(2)29-31(39)35-22(5)32(40)37-13-7-8-27(36-37)30(38)34-21(4)23-9-10-24-16-33-26(15-25(24)14-23)11-12-28(41-6)20(3)17-42-18-43-29/h9-12,14-16,19-22,27-29,36H,7-8,13,17-18H2,1-6H3,(H,34,38)(H,35,39)
InChIKeyHSNUHEOVVBWICJ-UHFFFAOYSA-N
MW595.74 g/mol
LogP3.11
Rot. Bonds2

About 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione

20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione (PubChem CID 123215263) has the molecular formula C32H45N5O6 and a molecular weight of 595.74 g/mol. Its IUPAC name is 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione.

Molecular Properties

Compound Name20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione
PubChem CID123215263
Molecular FormulaC32H45N5O6
Molecular Weight595.74 g/mol
Exact Mass595.34
IUPAC Name20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione
SMILESCOC1C=Cc2cc3cc(ccc3cn2)C(C)NC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)OCOCC1C
InChIInChI=1S/C32H45N5O6/c1-19(2)29-31(39)35-22(5)32(40)37-13-7-8-27(36-37)30(38)34-21(4)23-9-10-24-16-33-26(15-25(24)14-23)11-12-28(41-6)20(3)17-42-18-43-29/h9-12,14-16,19-22,27-29,36H,7-8,13,17-18H2,1-6H3,(H,34,38)(H,35,39)
InChIKeyHSNUHEOVVBWICJ-UHFFFAOYSA-N
XLogP3.11
TPSA131.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.74
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione with MolForge

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Related Compounds

(2R,5S,11R,14S,17R,18R,19E)-18-methoxy-2,11,17-trimethyl-14-propan-2-yl-3,9,12,15,22,30-hexazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone
CID 72694503
(2R,5S,11S,14S,18E)-2,11-dimethyl-16-methylidene-14-propan-2-yl-15-oxa-3,9,12,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13-trione
CID 118175850
(2R,5S,11S,14S)-2,11,17,17-tetramethyl-14-propan-2-yl-15-oxa-3,9,12,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
CID 123574763
(2R,5S,11S,14S,17R)-2,11-dimethyl-14-propan-2-yl-17-propyl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone
CID 123579424
(2R,5S,11S,14S)-2,11,17,17-tetramethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13-trione
CID 123597188
2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone
CID 123835995
(2R,5S,11S,14S,18E)-2,11,17-trimethyl-14-propan-2-yl-3-oxa-9,12,21,29-tetrazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
CID 160503576
(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
CID 161141823
(2R,5S,11S,14S,17R)-17-ethyl-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
CID 123342412
(2R,5S,11S,14S,18E)-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,21,29-tetrazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S)-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,21,29-tetrazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),20,22,24,27-pentaene-4,10,13,16-tetrone
CID 159150458
(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-[3-(2-morpholin-4-ylethoxyimino)butyl]-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,17R,19E)-2,11-dimethyl-17-(3-oxobutyl)-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;O-(2-morpholin-4-ylethyl)hydroxylamine
CID 157438336
[(2S)-1-[[(2S)-1-[(3S)-3-[[(1R)-1-(7-ethenylnaphthalen-2-yl)ethyl]carbamoyl]diazinan-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl] (E,2R,3R)-3-methoxy-2-methylhex-4-enoate;(2R,5S,11S,14S,17R,18R,19E)-18-methoxy-2,11,17-trimethyl-14-propan-2-yl-15-oxa-3,9,12,22,30-pentazatetracyclo[19.5.3.15,9.024,28]triaconta-1(27),19,21,23,25,28-hexaene-4,10,13,16-tetrone;toluene
CID 162219382

Frequently Asked Questions

What is the IUPAC name of 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione?
The IUPAC name of 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione (CID 123215263) is 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione.
What is the SMILES notation for 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione?
The canonical SMILES for 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione is COC1C=Cc2cc3cc(ccc3cn2)C(C)NC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)OCOCC1C.
What is the InChIKey of 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione?
The InChIKey is HSNUHEOVVBWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O6/c1-19(2)29-31(39)35-22(5)32(40)37-13-7-8-27(36-37)30(38)34-21(4)23-9-10-24-16-33-26(15-25(24)14-23)11-12-28(41-6)20(3)17-42-18-43-29/h9-12,14-16,19-22,27-29,36H,7-8,13,17-18H2,1-6H3,(H,34,38)(H,35,39).
What are the key properties of 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione?
20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione has a molecular weight of 595.74 g/mol, XLogP of 3.11, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 20-methoxy-2,11,19-trimethyl-14-propan-2-yl-15,17-dioxa-3,9,12,24,32-pentazatetracyclo[21.5.3.15,9.026,30]dotriaconta-1(29),21,23,25,27,30-hexaene-4,10,13-trione is sourced from PubChem (CID 123215263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).