15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione

C26H25N3O5 — CID 166457566

IUPAC15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione
SMILESCC(=O)c1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3cc(O)c(C4CC4)cc32)cc1
InChIInChI=1S/C26H25N3O5/c1-14(30)15-6-8-17(9-7-15)28-24(32)27-11-10-20-23(29(27)25(28)33)19-12-18(16-4-5-16)21(31)13-22(19)34-26(20,2)3/h6-10,12-13,16,23,31H,4-5,11H2,1-3H3
InChIKeyVDDTZIIQPXAVHF-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.29
Rot. Bonds3

About 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione

15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione (PubChem CID 166457566) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione.

Molecular Properties

Compound Name15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione
PubChem CID166457566
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione
SMILESCC(=O)c1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3cc(O)c(C4CC4)cc32)cc1
InChIInChI=1S/C26H25N3O5/c1-14(30)15-6-8-17(9-7-15)28-24(32)27-11-10-20-23(29(27)25(28)33)19-12-18(16-4-5-16)21(31)13-22(19)34-26(20,2)3/h6-10,12-13,16,23,31H,4-5,11H2,1-3H3
InChIKeyVDDTZIIQPXAVHF-UHFFFAOYSA-N
XLogP3.29
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione with MolForge

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Related Compounds

15-(4-acetylphenyl)-9,9-dimethyl-5-pyrrolidin-1-yl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione
CID 166457556
15-(4-acetylphenyl)-4,6-dichloro-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,10-tetraene-14,16-dione
CID 166457564
[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl] 2,2-dimethylpropanoate
CID 166457567
O-[[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl]] N,N-dimethylcarbamothioate
CID 166457536
[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl] 2-amino-3-methylbutanoate
CID 174236767
[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl] 2-(dimethylamino)acetate;hydrochloride
CID 166457736
[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl] piperazine-1-carboxylate
CID 166457509
15-(4-acetylphenyl)-5-(diethoxyphosphorylmethoxy)-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione
CID 166457565
(2S)-2-[[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl]oxycarbonyl-methylamino]propanoic acid
CID 166457625
15-(4-acetylphenyl)-5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione
CID 166457558
4-[[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl]oxy]-2-(dimethylamino)butanoic acid
CID 171482800
[15-(4-acetylphenyl)-9,9-dimethyl-14,16-dioxo-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraen-5-yl] 2,2-dimethylpiperazine-1-carboxylate
CID 166457516

Frequently Asked Questions

What is the IUPAC name of 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione?
The IUPAC name of 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione (CID 166457566) is 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione.
What is the SMILES notation for 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione?
The canonical SMILES for 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione is CC(=O)c1ccc(-n2c(=O)n3n(c2=O)C2C(=CC3)C(C)(C)Oc3cc(O)c(C4CC4)cc32)cc1.
What is the InChIKey of 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione?
The InChIKey is VDDTZIIQPXAVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-14(30)15-6-8-17(9-7-15)28-24(32)27-11-10-20-23(29(27)25(28)33)19-12-18(16-4-5-16)21(31)13-22(19)34-26(20,2)3/h6-10,12-13,16,23,31H,4-5,11H2,1-3H3.
What are the key properties of 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione?
15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione has a molecular weight of 459.50 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-acetylphenyl)-4-cyclopropyl-5-hydroxy-9,9-dimethyl-8-oxa-13,15,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,10-tetraene-14,16-dione is sourced from PubChem (CID 166457566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).