(2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione

C32H40N4O5 — CID 168918946

IUPAC(2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione
SMILESCC/C=C1C2=C\C=C(/C)C(=O)NC3CCOc4ccc(cc43)/C=C\CCC3CC(=O)N(C(N)=N3)C/1C(COC)CO2
InChIInChI=1S/C32H40N4O5/c1-4-7-24-27-12-10-20(2)31(38)35-26-14-15-40-28-13-11-21(16-25(26)28)8-5-6-9-23-17-29(37)36(32(33)34-23)30(24)22(18-39-3)19-41-27/h5,7-8,10-13,16,22-23,26,30H,4,6,9,14-15,17-19H2,1-3H3,(H2,33,34)(H,35,38)/b8-5-,20-10+,24-7-,27-12+
InChIKeyZPHSSGDHCAXWNT-ANZAALIYSA-N
MW560.70 g/mol
LogP4.18
Rot. Bonds3

About (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione

(2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione (PubChem CID 168918946) has the molecular formula C32H40N4O5 and a molecular weight of 560.70 g/mol. Its IUPAC name is (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione.

Molecular Properties

Compound Name(2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione
PubChem CID168918946
Molecular FormulaC32H40N4O5
Molecular Weight560.70 g/mol
Exact Mass560.30
IUPAC Name(2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione
SMILESCC/C=C1C2=C\C=C(/C)C(=O)NC3CCOc4ccc(cc43)/C=C\CCC3CC(=O)N(C(N)=N3)C/1C(COC)CO2
InChIInChI=1S/C32H40N4O5/c1-4-7-24-27-12-10-20(2)31(38)35-26-14-15-40-28-13-11-21(16-25(26)28)8-5-6-9-23-17-29(37)36(32(33)34-23)30(24)22(18-39-3)19-41-27/h5,7-8,10-13,16,22-23,26,30H,4,6,9,14-15,17-19H2,1-3H3,(H2,33,34)(H,35,38)/b8-5-,20-10+,24-7-,27-12+
InChIKeyZPHSSGDHCAXWNT-ANZAALIYSA-N
XLogP4.18
TPSA115.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione with MolForge

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Related Compounds

(1R,8E)-3-amino-16-(methoxymethyl)-14,24-dioxa-2,4,18-triazahexacyclo[18.6.2.22,5.210,13.012,17.023,27]dotriaconta-3,8,10,12,20(28),21,23(27),29-octaene-19,32-dione
CID 168919329
(1R,9E)-3-amino-15,25-dioxa-2,4,19-triazahexacyclo[19.6.2.22,5.211,14.013,18.024,28]tritriaconta-3,9,11,13,21(29),22,24(28),30-octaene-20,33-dione
CID 168919304
(1R,5R,8Z,16R,17S)-3-amino-5-ethyl-16-(methoxymethyl)-14,24-dioxa-2,4,18-triazahexacyclo[18.6.2.22,5.210,13.012,17.023,27]dotriaconta-3,8,10,12,20(28),21,23(27),29-octaene-19,32-dione
CID 168919010
(1R)-3-amino-23-oxa-2,4,17-triazahexacyclo[17.6.2.22,5.210,13.012,16.022,26]hentriaconta-3,10,12,19(27),20,22(26),28-heptaene-18,31-dione
CID 168918951
(16E)-11-amino-23,23-dimethyl-7-propan-2-yl-22-oxa-2,10,12-triazapentacyclo[16.6.2.210,13.14,8.021,25]nonacosa-4(29),5,7,11,16,18(26),19,21(25)-octaene-3,28-dione;ethane
CID 168919326
(1R,5R,9Z,16R,17R)-3-amino-5-ethyl-16-hydroxy-24-oxa-2,4,18-triazahexacyclo[18.6.2.22,5.211,14.013,17.023,27]dotriaconta-3,9,11,13,20(28),21,23(27),29-octaene-19,32-dione
CID 168919332
3-amino-5-ethyl-16-hydroxy-26-(methoxymethyl)-24-oxa-2,4,18-triazahexacyclo[18.6.2.22,5.211,14.013,17.023,27]dotriaconta-3,11,13,20(28),21,23(27),29-heptaene-19,32-dione
CID 168919253
(2S,10R,16R,17R)-16-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-2-hydroxy-17-(methoxymethyl)-19-oxa-11-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,20-hexaen-12-one
CID 167188175
(3S,4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 166005967
(1S,9R,13R,16Z)-11-amino-13-ethyl-23,23-dimethyl-9-propyl-22-oxa-2,10,12-triazapentacyclo[16.6.2.210,13.14,8.021,25]nonacosa-4,6,8(29),11,16,18(26),19,21(25)-octaene-3,28-dione
CID 176564885
(3R,4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methoxymethyl)-3,4-dihydro-2H-chromene-6-carboxamide;tert-butyl N-[4,4-diethyl-1-[(3R,4R)-6-[[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamoyl]-3-(methoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-5H-pyrimidin-2-yl]carbamate
CID 167705837
(1R,9R,13R,16E,23R)-11-amino-9,13-diethyl-23-hydroxy-2,10,12-triazapentacyclo[16.5.2.210,13.14,8.021,24]octacosa-4,6,8(28),11,16,18(25),19,21(24)-octaene-3,27-dione
CID 176564768

Frequently Asked Questions

What is the IUPAC name of (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione?
The IUPAC name of (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione (CID 168918946) is (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione.
What is the SMILES notation for (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione?
The canonical SMILES for (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione is CC/C=C1C2=C\C=C(/C)C(=O)NC3CCOc4ccc(cc43)/C=C\CCC3CC(=O)N(C(N)=N3)C/1C(COC)CO2.
What is the InChIKey of (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione?
The InChIKey is ZPHSSGDHCAXWNT-ANZAALIYSA-N. The full InChI is InChI=1S/C32H40N4O5/c1-4-7-24-27-12-10-20(2)31(38)35-26-14-15-40-28-13-11-21(16-25(26)28)8-5-6-9-23-17-29(37)36(32(33)34-23)30(24)22(18-39-3)19-41-27/h5,7-8,10-13,16,22-23,26,30H,4,6,9,14-15,17-19H2,1-3H3,(H2,33,34)(H,35,38)/b8-5-,20-10+,24-7-,27-12+.
What are the key properties of (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione?
(2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione has a molecular weight of 560.70 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,14E,16E,29E)-8-amino-11-(methoxymethyl)-17-methyl-29-propylidene-13,23-dioxa-7,9,19-triazapentacyclo[18.6.2.26,9.110,14.024,28]hentriaconta-1(27),2,7,14,16,24(28),25-heptaene-18,30-dione is sourced from PubChem (CID 168918946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).