28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione

C26H26N2O5 — CID 102074227

IUPAC28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione
SMILESCOc1c2cc(C)cc1COc1ccccc1C(=O)NCCNC(=O)c1ccccc1OC2
InChIInChI=1S/C26H26N2O5/c1-17-13-18-15-32-22-9-5-3-7-20(22)25(29)27-11-12-28-26(30)21-8-4-6-10-23(21)33-16-19(14-17)24(18)31-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOUKASJHHTZAUMM-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.63
Rot. Bonds1

About 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione

28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione (PubChem CID 102074227) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione.

Molecular Properties

Compound Name28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione
PubChem CID102074227
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione
SMILESCOc1c2cc(C)cc1COc1ccccc1C(=O)NCCNC(=O)c1ccccc1OC2
InChIInChI=1S/C26H26N2O5/c1-17-13-18-15-32-22-9-5-3-7-20(22)25(29)27-11-12-28-26(30)21-8-4-6-10-23(21)33-16-19(14-17)24(18)31-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOUKASJHHTZAUMM-UHFFFAOYSA-N
XLogP3.63
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-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 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione?
The IUPAC name of 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione (CID 102074227) is 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione.
What is the SMILES notation for 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione?
The canonical SMILES for 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione is COc1c2cc(C)cc1COc1ccccc1C(=O)NCCNC(=O)c1ccccc1OC2.
What is the InChIKey of 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione?
The InChIKey is OUKASJHHTZAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-17-13-18-15-32-22-9-5-3-7-20(22)25(29)27-11-12-28-26(30)21-8-4-6-10-23(21)33-16-19(14-17)24(18)31-2/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione?
28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione has a molecular weight of 446.50 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 28-methoxy-26-methyl-3,22-dioxa-11,14-diazatetracyclo[22.3.1.04,9.016,21]octacosa-1(27),4,6,8,16,18,20,24(28),25-nonaene-10,15-dione is sourced from PubChem (CID 102074227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).