(1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione

C23H24N2O5 — CID 162866784

IUPAC(1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
SMILESCOc1cccc2c1N1C(=O)C=C3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14
InChIInChI=1S/C23H24N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,9,13,17,19,21H,6-8,10-11H2,1-2H3/t13-,17-,19+,21+,22-,23+/m1/s1
InChIKeyCJXJFPZVDOJEAR-BQMRLHQHSA-N
MW408.45 g/mol
LogP1.25
Rot. Bonds1

About (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione

(1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione (PubChem CID 162866784) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione.

Molecular Properties

Compound Name(1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
PubChem CID162866784
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione
SMILESCOc1cccc2c1N1C(=O)C=C3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14
InChIInChI=1S/C23H24N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,9,13,17,19,21H,6-8,10-11H2,1-2H3/t13-,17-,19+,21+,22-,23+/m1/s1
InChIKeyCJXJFPZVDOJEAR-BQMRLHQHSA-N
XLogP1.25
TPSA71.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
The IUPAC name of (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione (CID 162866784) is (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione.
What is the SMILES notation for (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
The canonical SMILES for (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione is COc1cccc2c1N1C(=O)C=C3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14.
What is the InChIKey of (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
The InChIKey is CJXJFPZVDOJEAR-BQMRLHQHSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-24-7-6-22-12-4-3-5-14(28-2)20(12)25-18(27)9-15-19(21(22)25)13(8-16(22)26)23(11-24)17(30-23)10-29-15/h3-5,9,13,17,19,21H,6-8,10-11H2,1-2H3/t13-,17-,19+,21+,22-,23+/m1/s1.
What are the key properties of (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione?
(1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione has a molecular weight of 408.45 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8R,23R,24R,25S)-16-methoxy-4-methyl-7,10-dioxa-4,14-diazaheptacyclo[12.6.5.01,25.06,8.06,23.011,24.015,20]pentacosa-11,15(20),16,18-tetraene-13,21-dione is sourced from PubChem (CID 162866784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).