13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione

C24H19N3O4 — CID 10431873

IUPAC13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
SMILESCN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O
InChIInChI=1S/C24H19N3O4/c1-26(2)11-12-27-23(28)18-17-13-7-3-4-8-14(13)25-20(17)22-21(19(18)24(27)29)30-15-9-5-6-10-16(15)31-22/h3-10,25H,11-12H2,1-2H3
InChIKeyBGXSAMCEKHXLND-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.05
Rot. Bonds3

About 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione

13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione (PubChem CID 10431873) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione.

Molecular Properties

Compound Name13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
PubChem CID10431873
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione
SMILESCN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O
InChIInChI=1S/C24H19N3O4/c1-26(2)11-12-27-23(28)18-17-13-7-3-4-8-14(13)25-20(17)22-21(19(18)24(27)29)30-15-9-5-6-10-16(15)31-22/h3-10,25H,11-12H2,1-2H3
InChIKeyBGXSAMCEKHXLND-UHFFFAOYSA-N
XLogP4.05
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
The IUPAC name of 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione (CID 10431873) is 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione.
What is the SMILES notation for 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
The canonical SMILES for 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione is CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O.
What is the InChIKey of 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
The InChIKey is BGXSAMCEKHXLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-26(2)11-12-27-23(28)18-17-13-7-3-4-8-14(13)25-20(17)22-21(19(18)24(27)29)30-15-9-5-6-10-16(15)31-22/h3-10,25H,11-12H2,1-2H3.
What are the key properties of 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione?
13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione has a molecular weight of 413.43 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2-(dimethylamino)ethyl]-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,6,8,10,15,18,20,22-nonaene-12,14-dione is sourced from PubChem (CID 10431873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).