14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide

C26H29NO4 — CID 71209898

IUPAC14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
SMILESCOc1ccc2c3c1OC1CC(O)C=CC31CCC(C(=O)NC(C)c1ccccc1)C2
InChIInChI=1S/C26H29NO4/c1-16(17-6-4-3-5-7-17)27-25(29)19-10-12-26-13-11-20(28)15-22(26)31-24-21(30-2)9-8-18(14-19)23(24)26/h3-9,11,13,16,19-20,22,28H,10,12,14-15H2,1-2H3,(H,27,29)
InChIKeyQMPLDVQFFFBHBC-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.84
Rot. Bonds4

About 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide

14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide (PubChem CID 71209898) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide.

Molecular Properties

Compound Name14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
PubChem CID71209898
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
SMILESCOc1ccc2c3c1OC1CC(O)C=CC31CCC(C(=O)NC(C)c1ccccc1)C2
InChIInChI=1S/C26H29NO4/c1-16(17-6-4-3-5-7-17)27-25(29)19-10-12-26-13-11-20(28)15-22(26)31-24-21(30-2)9-8-18(14-19)23(24)26/h3-9,11,13,16,19-20,22,28H,10,12,14-15H2,1-2H3,(H,27,29)
InChIKeyQMPLDVQFFFBHBC-UHFFFAOYSA-N
XLogP3.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
The IUPAC name of 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide (CID 71209898) is 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide.
What is the SMILES notation for 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
The canonical SMILES for 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide is COc1ccc2c3c1OC1CC(O)C=CC31CCC(C(=O)NC(C)c1ccccc1)C2.
What is the InChIKey of 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
The InChIKey is QMPLDVQFFFBHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-16(17-6-4-3-5-7-17)27-25(29)19-10-12-26-13-11-20(28)15-22(26)31-24-21(30-2)9-8-18(14-19)23(24)26/h3-9,11,13,16,19-20,22,28H,10,12,14-15H2,1-2H3,(H,27,29).
What are the key properties of 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide has a molecular weight of 419.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide is sourced from PubChem (CID 71209898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).