20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione

C23H25N3O6 — CID 170568523

IUPAC20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione
SMILESCCNCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)C1=C2NC2OCOC2=C1
InChIInChI=1S/C23H25N3O6/c1-4-24-6-5-7-26-20-18(12-8-15(29-2)16(30-3)9-13(12)23(26)28)21(27)14-10-17-22(25-19(14)20)32-11-31-17/h8-10,22,24-25H,4-7,11H2,1-3H3
InChIKeySRVSOCRMYNNNAM-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.74
Rot. Bonds7

About 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione

20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione (PubChem CID 170568523) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione.

Molecular Properties

Compound Name20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione
PubChem CID170568523
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione
SMILESCCNCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)C1=C2NC2OCOC2=C1
InChIInChI=1S/C23H25N3O6/c1-4-24-6-5-7-26-20-18(12-8-15(29-2)16(30-3)9-13(12)23(26)28)21(27)14-10-17-22(25-19(14)20)32-11-31-17/h8-10,22,24-25H,4-7,11H2,1-3H3
InChIKeySRVSOCRMYNNNAM-UHFFFAOYSA-N
XLogP1.74
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione?
The IUPAC name of 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione (CID 170568523) is 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione.
What is the SMILES notation for 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione?
The canonical SMILES for 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione is CCNCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)C(=O)C1=C2NC2OCOC2=C1.
What is the InChIKey of 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione?
The InChIKey is SRVSOCRMYNNNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-4-24-6-5-7-26-20-18(12-8-15(29-2)16(30-3)9-13(12)23(26)28)21(27)14-10-17-22(25-19(14)20)32-11-31-17/h8-10,22,24-25H,4-7,11H2,1-3H3.
What are the key properties of 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione?
20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione has a molecular weight of 439.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[3-(ethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-3,20-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),8,13,15,17-hexaene-11,19-dione is sourced from PubChem (CID 170568523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).