(10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

C25H24N2O3 — CID 98366871

IUPAC(10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCC(=O)[C@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@H]2C=Cc3cc(C)ccc3N21
InChIInChI=1S/C25H24N2O3/c1-13-8-10-18-17(12-13)9-11-19-20-21(23(16(4)28)26(18)19)25(30)27(24(20)29)22-14(2)6-5-7-15(22)3/h5-12,19-21,23H,1-4H3/t19-,20-,21+,23+/m1/s1
InChIKeyJRJFEBNWTRACFP-JFYQVNSESA-N
MW400.48 g/mol
LogP3.59
Rot. Bonds2

About (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

(10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (PubChem CID 98366871) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.

Molecular Properties

Compound Name(10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
PubChem CID98366871
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCC(=O)[C@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@H]2C=Cc3cc(C)ccc3N21
InChIInChI=1S/C25H24N2O3/c1-13-8-10-18-17(12-13)9-11-19-20-21(23(16(4)28)26(18)19)25(30)27(24(20)29)22-14(2)6-5-7-15(22)3/h5-12,19-21,23H,1-4H3/t19-,20-,21+,23+/m1/s1
InChIKeyJRJFEBNWTRACFP-JFYQVNSESA-N
XLogP3.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10R,11S,15S,16S)-16-acetyl-13-tert-butyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 51458806
(10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 98446854
(10R,11R,15R,16S)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124776330
(10S,11R,15S,16S)-16-acetyl-5-methyl-13-prop-2-enyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124828408
(10S,11S,15S,16S)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 51525747
(10S,11R,15S,16R)-16-acetyl-5-methoxy-13-(4-methoxyphenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124770969
(10S,11R,15R,16S)-16-acetyl-13-(2-methyl-4-nitrophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 92508863
16-acetyl-13-(4-fluorophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 3735511
[4-[(10R,11R,15S,16R)-16-acetyl-5-methoxy-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraen-13-yl]phenyl] acetate
CID 124773794
(10S,11R,15S,16R)-16-acetyl-13-(4-methoxyphenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 7394410
(10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 98511449
(10S,11R,15R,16S)-16-benzoyl-13-(4-methylphenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 40907344

Frequently Asked Questions

What is the IUPAC name of (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The IUPAC name of (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (CID 98366871) is (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.
What is the SMILES notation for (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The canonical SMILES for (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is CC(=O)[C@H]1[C@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@H]2C=Cc3cc(C)ccc3N21.
What is the InChIKey of (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The InChIKey is JRJFEBNWTRACFP-JFYQVNSESA-N. The full InChI is InChI=1S/C25H24N2O3/c1-13-8-10-18-17(12-13)9-11-19-20-21(23(16(4)28)26(18)19)25(30)27(24(20)29)22-14(2)6-5-7-15(22)3/h5-12,19-21,23H,1-4H3/t19-,20-,21+,23+/m1/s1.
What are the key properties of (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
(10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione has a molecular weight of 400.48 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S,15S,16R)-16-acetyl-13-(2,6-dimethylphenyl)-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is sourced from PubChem (CID 98366871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).