11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol

C26H38N2O2 — CID 153284529

IUPAC11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol
SMILESC/C=C/N1CCCC2(CC)CC(C)(O)n3c(c(c4ccccc43)CC1)C2OC(C)C
InChIInChI=1S/C26H38N2O2/c1-6-15-27-16-10-14-26(7-2)18-25(5,29)28-22-12-9-8-11-20(22)21(13-17-27)23(28)24(26)30-19(3)4/h6,8-9,11-12,15,19,24,29H,7,10,13-14,16-18H2,1-5H3/b15-6+
InChIKeyMIFJYRHTACBKSV-GIDUJCDVSA-N
MW410.60 g/mol
LogP5.74
Rot. Bonds4

About 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol

11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol (PubChem CID 153284529) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol.

Molecular Properties

Compound Name11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol
PubChem CID153284529
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol
SMILESC/C=C/N1CCCC2(CC)CC(C)(O)n3c(c(c4ccccc43)CC1)C2OC(C)C
InChIInChI=1S/C26H38N2O2/c1-6-15-27-16-10-14-26(7-2)18-25(5,29)28-22-12-9-8-11-20(22)21(13-17-27)23(28)24(26)30-19(3)4/h6,8-9,11-12,15,19,24,29H,7,10,13-14,16-18H2,1-5H3/b15-6+
InChIKeyMIFJYRHTACBKSV-GIDUJCDVSA-N
XLogP5.74
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol with MolForge

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Related Compounds

methyl (9S,11S,19R)-15-[(E)-3-anilino-3-oxoprop-1-enyl]-11-ethyl-9-hydroxy-19-methoxy-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraene-9-carboxylate
CID 163544487
methyl (9S,11S,19R)-11-ethyl-9,19-dihydroxy-15-[(E)-3-methoxy-3-oxoprop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraene-9-carboxylate
CID 153284532
methyl (E)-3-(11-ethyl-19-methoxy-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-15-yl)prop-2-enoate
CID 153284518
methyl (15R,17R)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 16757745
methyl (15R,17R,19R)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 6546955
methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;propane-1,2,3-triol
CID 68622500
methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 70557613
(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
CID 628233
[(2R)-2-hydroxypropyl] (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 76968501
methyl (15S,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 10472322
15-ethyl-17-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
CID 14825826
2-(4-chlorophenoxy)acetic acid;methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
CID 70622087

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol?
The IUPAC name of 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol (CID 153284529) is 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol.
What is the SMILES notation for 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol?
The canonical SMILES for 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol is C/C=C/N1CCCC2(CC)CC(C)(O)n3c(c(c4ccccc43)CC1)C2OC(C)C.
What is the InChIKey of 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol?
The InChIKey is MIFJYRHTACBKSV-GIDUJCDVSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-6-15-27-16-10-14-26(7-2)18-25(5,29)28-22-12-9-8-11-20(22)21(13-17-27)23(28)24(26)30-19(3)4/h6,8-9,11-12,15,19,24,29H,7,10,13-14,16-18H2,1-5H3/b15-6+.
What are the key properties of 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol?
11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol has a molecular weight of 410.60 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-9-methyl-19-propan-2-yloxy-15-[(E)-prop-1-enyl]-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-ol is sourced from PubChem (CID 153284529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).