4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione

C24H23N3O5 — CID 10048487

IUPAC4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione
SMILESCN(C)CCn1c(=O)c2c3cc(OCCO)ccc3c3[nH]c4ccccc4oc3c2c1=O
InChIInChI=1S/C24H23N3O5/c1-26(2)9-10-27-23(29)19-16-13-14(31-12-11-28)7-8-15(16)21-22(20(19)24(27)30)32-18-6-4-3-5-17(18)25-21/h3-8,13,25,28H,9-12H2,1-2H3
InChIKeyLOYTYTPDCZVSFE-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.68
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione

4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione (PubChem CID 10048487) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione
PubChem CID10048487
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione
SMILESCN(C)CCn1c(=O)c2c3cc(OCCO)ccc3c3[nH]c4ccccc4oc3c2c1=O
InChIInChI=1S/C24H23N3O5/c1-26(2)9-10-27-23(29)19-16-13-14(31-12-11-28)7-8-15(16)21-22(20(19)24(27)30)32-18-6-4-3-5-17(18)25-21/h3-8,13,25,28H,9-12H2,1-2H3
InChIKeyLOYTYTPDCZVSFE-UHFFFAOYSA-N
XLogP2.68
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione 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 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione (CID 10048487) is 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione is CN(C)CCn1c(=O)c2c3cc(OCCO)ccc3c3[nH]c4ccccc4oc3c2c1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione?
The InChIKey is LOYTYTPDCZVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-26(2)9-10-27-23(29)19-16-13-14(31-12-11-28)7-8-15(16)21-22(20(19)24(27)30)32-18-6-4-3-5-17(18)25-21/h3-8,13,25,28H,9-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione?
4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione has a molecular weight of 433.46 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-9-(2-hydroxyethoxy)-21-oxa-4,14-diazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),7(12),8,10,15,17,19-octaene-3,5-dione is sourced from PubChem (CID 10048487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).