19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C24H27N3O4 — CID 143599705

IUPAC19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESCCOCCN(C)Cn1c2cccc(OC)c2c2c3c(c4c(c21)CCC4)C(=O)NC3=O
InChIInChI=1S/C24H27N3O4/c1-4-31-12-11-26(2)13-27-16-9-6-10-17(30-3)19(16)20-21-18(23(28)25-24(21)29)14-7-5-8-15(14)22(20)27/h6,9-10H,4-5,7-8,11-13H2,1-3H3,(H,25,28,29)
InChIKeyYSYFLOPMUNNKNJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.10
Rot. Bonds7

About 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 143599705) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

Compound Name19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
PubChem CID143599705
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESCCOCCN(C)Cn1c2cccc(OC)c2c2c3c(c4c(c21)CCC4)C(=O)NC3=O
InChIInChI=1S/C24H27N3O4/c1-4-31-12-11-26(2)13-27-16-9-6-10-17(30-3)19(16)20-21-18(23(28)25-24(21)29)14-7-5-8-15(14)22(20)27/h6,9-10H,4-5,7-8,11-13H2,1-3H3,(H,25,28,29)
InChIKeyYSYFLOPMUNNKNJ-UHFFFAOYSA-N
XLogP3.10
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The IUPAC name of 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 143599705) is 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.
What is the SMILES notation for 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The canonical SMILES for 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is CCOCCN(C)Cn1c2cccc(OC)c2c2c3c(c4c(c21)CCC4)C(=O)NC3=O.
What is the InChIKey of 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The InChIKey is YSYFLOPMUNNKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-31-12-11-26(2)13-27-16-9-6-10-17(30-3)19(16)20-21-18(23(28)25-24(21)29)14-7-5-8-15(14)22(20)27/h6,9-10H,4-5,7-8,11-13H2,1-3H3,(H,25,28,29).
What are the key properties of 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 421.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 143599705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).