6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione

C27H23N3O3 — CID 11453400

IUPAC6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione
SMILESCN(C)CCOc1ccc2c(c1)[nH]c1c3cc4ccccc4cc3c3c(c21)C(=O)N(C)C3=O
InChIInChI=1S/C27H23N3O3/c1-29(2)10-11-33-17-8-9-18-21(14-17)28-25-20-13-16-7-5-4-6-15(16)12-19(20)23-24(22(18)25)27(32)30(3)26(23)31/h4-9,12-14,28H,10-11H2,1-3H3
InChIKeyRMCMNPCTNMIDKA-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.79
Rot. Bonds4

About 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione

6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione (PubChem CID 11453400) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione
PubChem CID11453400
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione
SMILESCN(C)CCOc1ccc2c(c1)[nH]c1c3cc4ccccc4cc3c3c(c21)C(=O)N(C)C3=O
InChIInChI=1S/C27H23N3O3/c1-29(2)10-11-33-17-8-9-18-21(14-17)28-25-20-13-16-7-5-4-6-15(16)12-19(20)23-24(22(18)25)27(32)30(3)26(23)31/h4-9,12-14,28H,10-11H2,1-3H3
InChIKeyRMCMNPCTNMIDKA-UHFFFAOYSA-N
XLogP4.79
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione (CID 11453400) is 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione is CN(C)CCOc1ccc2c(c1)[nH]c1c3cc4ccccc4cc3c3c(c21)C(=O)N(C)C3=O.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione?
The InChIKey is RMCMNPCTNMIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-29(2)10-11-33-17-8-9-18-21(14-17)28-25-20-13-16-7-5-4-6-15(16)12-19(20)23-24(22(18)25)27(32)30(3)26(23)31/h4-9,12-14,28H,10-11H2,1-3H3.
What are the key properties of 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione?
6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione has a molecular weight of 437.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-13-methyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione is sourced from PubChem (CID 11453400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).