14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide

C23H24N2O4 — CID 71209879

IUPAC14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
SMILESCOc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C23H24N2O4/c1-28-18-8-7-15-14-25(22(27)24-16-5-3-2-4-6-16)12-11-23-10-9-17(26)13-19(23)29-21(18)20(15)23/h2-10,17,19,26H,11-14H2,1H3,(H,24,27)
InChIKeyRJADBUDGUQEEPZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.45
Rot. Bonds2

About 14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide

14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide (PubChem CID 71209879) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide.

Molecular Properties

Compound Name14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
PubChem CID71209879
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
SMILESCOc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C23H24N2O4/c1-28-18-8-7-15-14-25(22(27)24-16-5-3-2-4-6-16)12-11-23-10-9-17(26)13-19(23)29-21(18)20(15)23/h2-10,17,19,26H,11-14H2,1H3,(H,24,27)
InChIKeyRJADBUDGUQEEPZ-UHFFFAOYSA-N
XLogP3.45
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.45
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-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 71209889
(14R)-14-hydroxy-9-methoxy-N-naphthalen-2-yl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 58645918
(1S,12S,14R)-14-hydroxy-9-methoxy-N-naphthalen-1-yl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 58783255
(12R,14S)-14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 146028080
(1S,12S,14R)-N-ethyl-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 10132259
1-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]ethanone
CID 71209954
4-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]-4-oxobutanoic acid
CID 58872788
9-methoxy-4-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 71209904
[tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate
CID 16638863
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 3449
tert-butyl N-[6-[(14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carbonyl)amino]hexyl]carbamate
CID 71210932
(1S,12S,14R)-4-ethyl-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 10470135

Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[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-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide (CID 71209879) is 14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[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-phenyl-11-oxa-4-azatetracyclo[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-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide is COc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
The InChIKey is RJADBUDGUQEEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-18-8-7-15-14-25(22(27)24-16-5-3-2-4-6-16)12-11-23-10-9-17(26)13-19(23)29-21(18)20(15)23/h2-10,17,19,26H,11-14H2,1H3,(H,24,27).
What are the key properties of 14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.45, 2 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-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide is sourced from PubChem (CID 71209879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).