20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one

C24H25N3O5 — CID 11988333

IUPAC20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one
SMILESCOc1cc2c3cnc4cc5c(cc4c3c(=O)n(CCCN(C)C)c2cc1OC)OCO5
InChIInChI=1S/C24H25N3O5/c1-26(2)6-5-7-27-18-11-20(30-4)19(29-3)8-14(18)16-12-25-17-10-22-21(31-13-32-22)9-15(17)23(16)24(27)28/h8-12H,5-7,13H2,1-4H3
InChIKeyBCMILYZNBJHOJZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.40
Rot. Bonds6

About 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one

20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one (PubChem CID 11988333) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one.

Molecular Properties

Compound Name20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one
PubChem CID11988333
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one
SMILESCOc1cc2c3cnc4cc5c(cc4c3c(=O)n(CCCN(C)C)c2cc1OC)OCO5
InChIInChI=1S/C24H25N3O5/c1-26(2)6-5-7-27-18-11-20(30-4)19(29-3)8-14(18)16-12-25-17-10-22-21(31-13-32-22)9-15(17)23(16)24(27)28/h8-12H,5-7,13H2,1-4H3
InChIKeyBCMILYZNBJHOJZ-UHFFFAOYSA-N
XLogP3.40
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one?
The IUPAC name of 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one (CID 11988333) is 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one.
What is the SMILES notation for 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one?
The canonical SMILES for 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one is COc1cc2c3cnc4cc5c(cc4c3c(=O)n(CCCN(C)C)c2cc1OC)OCO5.
What is the InChIKey of 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one?
The InChIKey is BCMILYZNBJHOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-26(2)6-5-7-27-18-11-20(30-4)19(29-3)8-14(18)16-12-25-17-10-22-21(31-13-32-22)9-15(17)23(16)24(27)28/h8-12H,5-7,13H2,1-4H3.
What are the key properties of 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one?
20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one has a molecular weight of 435.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[3-(dimethylamino)propyl]-16,17-dimethoxy-5,7-dioxa-11,20-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-21-one is sourced from PubChem (CID 11988333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).