(11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione

C25H32N2O7 — CID 73355086

IUPAC(11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione
SMILESCC(C)C[C@@H]1NC(=O)C[C@H]2[C@@H]3OC(C)(C)O[C@H]3c3cc4c(cc3N2C/C=C\COC1=O)OCO4
InChIInChI=1S/C25H32N2O7/c1-14(2)9-16-24(29)30-8-6-5-7-27-17-11-20-19(31-13-32-20)10-15(17)22-23(34-25(3,4)33-22)18(27)12-21(28)26-16/h5-6,10-11,14,16,18,22-23H,7-9,12-13H2,1-4H3,(H,26,28)/b6-5-/t16-,18-,22-,23-/m0/s1
InChIKeyGPODDXHUTODUSM-WHCNJVHXSA-N
MW472.54 g/mol
LogP2.83
Rot. Bonds2

About (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione

(11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione (PubChem CID 73355086) has the molecular formula C25H32N2O7 and a molecular weight of 472.54 g/mol. Its IUPAC name is (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione.

Molecular Properties

Compound Name(11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione
PubChem CID73355086
Molecular FormulaC25H32N2O7
Molecular Weight472.54 g/mol
Exact Mass472.22
IUPAC Name(11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione
SMILESCC(C)C[C@@H]1NC(=O)C[C@H]2[C@@H]3OC(C)(C)O[C@H]3c3cc4c(cc3N2C/C=C\COC1=O)OCO4
InChIInChI=1S/C25H32N2O7/c1-14(2)9-16-24(29)30-8-6-5-7-27-17-11-20-19(31-13-32-20)10-15(17)22-23(34-25(3,4)33-22)18(27)12-21(28)26-16/h5-6,10-11,14,16,18,22-23H,7-9,12-13H2,1-4H3,(H,26,28)/b6-5-/t16-,18-,22-,23-/m0/s1
InChIKeyGPODDXHUTODUSM-WHCNJVHXSA-N
XLogP2.83
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-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 (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione?
The IUPAC name of (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione (CID 73355086) is (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione.
What is the SMILES notation for (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione?
The canonical SMILES for (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione is CC(C)C[C@@H]1NC(=O)C[C@H]2[C@@H]3OC(C)(C)O[C@H]3c3cc4c(cc3N2C/C=C\COC1=O)OCO4.
What is the InChIKey of (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione?
The InChIKey is GPODDXHUTODUSM-WHCNJVHXSA-N. The full InChI is InChI=1S/C25H32N2O7/c1-14(2)9-16-24(29)30-8-6-5-7-27-17-11-20-19(31-13-32-20)10-15(17)22-23(34-25(3,4)33-22)18(27)12-21(28)26-16/h5-6,10-11,14,16,18,22-23H,7-9,12-13H2,1-4H3,(H,26,28)/b6-5-/t16-,18-,22-,23-/m0/s1.
What are the key properties of (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione?
(11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione has a molecular weight of 472.54 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,15S,16S,20S,24Z)-13,13-dimethyl-20-(2-methylpropyl)-5,7,12,14,22-pentaoxa-1,19-diazapentacyclo[14.10.0.02,10.04,8.011,15]hexacosa-2,4(8),9,24-tetraene-18,21-dione is sourced from PubChem (CID 73355086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).