(1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione

C23H24N2O4 — CID 162866786

IUPAC(1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione
SMILESCOc1cccc2c1N1C(=O)C=C3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15
InChIInChI=1S/C23H24N2O4/c1-24-8-7-23-15-4-3-5-16(28-2)21(15)25-19(27)11-17-20(22(23)25)14(10-18(23)26)13(12-24)6-9-29-17/h3-6,11,14,20,22H,7-10,12H2,1-2H3/t14-,20-,22-,23+/m0/s1
InChIKeyBWCDHPDWBTWWLO-USDOHBJKSA-N
MW392.46 g/mol
LogP2.04
Rot. Bonds1

About (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione

(1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione (PubChem CID 162866786) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione.

Molecular Properties

Compound Name(1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione
PubChem CID162866786
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione
SMILESCOc1cccc2c1N1C(=O)C=C3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15
InChIInChI=1S/C23H24N2O4/c1-24-8-7-23-15-4-3-5-16(28-2)21(15)25-19(27)11-17-20(22(23)25)14(10-18(23)26)13(12-24)6-9-29-17/h3-6,11,14,20,22H,7-10,12H2,1-2H3/t14-,20-,22-,23+/m0/s1
InChIKeyBWCDHPDWBTWWLO-USDOHBJKSA-N
XLogP2.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione?
The IUPAC name of (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione (CID 162866786) is (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione.
What is the SMILES notation for (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione?
The canonical SMILES for (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione is COc1cccc2c1N1C(=O)C=C3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15.
What is the InChIKey of (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione?
The InChIKey is BWCDHPDWBTWWLO-USDOHBJKSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-24-8-7-23-15-4-3-5-16(28-2)21(15)25-19(27)11-17-20(22(23)25)14(10-18(23)26)13(12-24)6-9-29-17/h3-6,11,14,20,22H,7-10,12H2,1-2H3/t14-,20-,22-,23+/m0/s1.
What are the key properties of (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione?
(1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione has a molecular weight of 392.46 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,22R,23R,24S)-15-methoxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione is sourced from PubChem (CID 162866786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).