(16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

C23H23N3O3 — CID 53364337

IUPAC(16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
SMILESCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2
InChIInChI=1S/C23H23N3O3/c1-27-22-8-7-20-14-19(22)16-29-12-3-2-11-28-15-17-5-4-6-18(13-17)21-9-10-24-23(25-20)26-21/h2-10,13-14H,11-12,15-16H2,1H3,(H,24,25,26)/b3-2+
InChIKeyNVVRIZGTMNCPSN-NSCUHMNNSA-N
MW389.46 g/mol
LogP4.50
Rot. Bonds1

About (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

(16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene (PubChem CID 53364337) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.

Molecular Properties

Compound Name(16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
PubChem CID53364337
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
SMILESCOc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2
InChIInChI=1S/C23H23N3O3/c1-27-22-8-7-20-14-19(22)16-29-12-3-2-11-28-15-17-5-4-6-18(13-17)21-9-10-24-23(25-20)26-21/h2-10,13-14H,11-12,15-16H2,1H3,(H,24,25,26)/b3-2+
InChIKeyNVVRIZGTMNCPSN-NSCUHMNNSA-N
XLogP4.50
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene 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 (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The IUPAC name of (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene (CID 53364337) is (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.
What is the SMILES notation for (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The canonical SMILES for (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene is COc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2.
What is the InChIKey of (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
The InChIKey is NVVRIZGTMNCPSN-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-27-22-8-7-20-14-19(22)16-29-12-3-2-11-28-15-17-5-4-6-18(13-17)21-9-10-24-23(25-20)26-21/h2-10,13-14H,11-12,15-16H2,1H3,(H,24,25,26)/b3-2+.
What are the key properties of (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene?
(16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene has a molecular weight of 389.46 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (16E)-11-methoxy-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene is sourced from PubChem (CID 53364337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).