(5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide

C25H31NO3 — CID 59047551

IUPAC(5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide
SMILESCN(C)C(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2=C1C1=CC[C@@]3(C)CCC(=O)[C@@]13CC2
InChIInChI=1S/C25H31NO3/c1-23-9-6-19-21-17(22(29)26(3)4)14-15-13-16(27)5-11-24(15,2)18(21)7-12-25(19,23)20(28)8-10-23/h6,13,17H,5,7-12,14H2,1-4H3/t17-,23+,24?,25-/m1/s1
InChIKeyCMJHGHDIRMSFOU-OSMDSLDNSA-N
MW393.53 g/mol
LogP4.17
Rot. Bonds1

About (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide

(5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide (PubChem CID 59047551) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide.

Molecular Properties

Compound Name(5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide
PubChem CID59047551
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name(5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide
SMILESCN(C)C(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2=C1C1=CC[C@@]3(C)CCC(=O)[C@@]13CC2
InChIInChI=1S/C25H31NO3/c1-23-9-6-19-21-17(22(29)26(3)4)14-15-13-16(27)5-11-24(15,2)18(21)7-12-25(19,23)20(28)8-10-23/h6,13,17H,5,7-12,14H2,1-4H3/t17-,23+,24?,25-/m1/s1
InChIKeyCMJHGHDIRMSFOU-OSMDSLDNSA-N
XLogP4.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide 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

(5S,13R,20S)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxylic acid
CID 70145554
(5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,18-triene-20-carboxamide
CID 90703493
(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione
CID 59086393
(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione
CID 59086354
ethoxymethoxyethane;methyl (5R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxylate;methyl (5R,20R)-16-ethoxy-5,13-dimethyl-8-oxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,16,18-tetraene-20-carboxylate;methyl (5R,20S)-19-hydroxy-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxylate
CID 159330903
(5R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,14,17-tetraene-8,16-dione;(5R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione;(5'R)-5',13'-dimethylspiro[cyclopropane-1,19'-pentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,14,17-tetraene]-8',16'-dione;(5'R)-5',13'-dimethylspiro[cyclopropane-1,19'-pentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene]-8',16'-dione;methyl (5R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,14,17-tetraene-20-carboxylate;methyl (5R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxylate
CID 158047944
propyl (5R,9R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,18-triene-20-carboxylate
CID 90748115
2-methylpropyl (5R,9R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,18-triene-20-carboxylate
CID 91247514
butan-2-yl (5R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,18-triene-20-carboxylate
CID 91165403
butyl (5R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,18-triene-20-carboxylate
CID 91608452
butyl (5R,9R,20R)-5,13-dimethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,18-triene-20-carboxylate
CID 91181292
13-iodosyl-10,17-dimethyl-3-oxo-17-propyl-2,6,7,11,12,16-hexahydro-1H-cyclopenta[a]phenanthrene-7-carboxylic acid
CID 163412318

Frequently Asked Questions

What is the IUPAC name of (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide?
The IUPAC name of (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide (CID 59047551) is (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide.
What is the SMILES notation for (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide?
The canonical SMILES for (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide is CN(C)C(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2=C1C1=CC[C@@]3(C)CCC(=O)[C@@]13CC2.
What is the InChIKey of (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide?
The InChIKey is CMJHGHDIRMSFOU-OSMDSLDNSA-N. The full InChI is InChI=1S/C25H31NO3/c1-23-9-6-19-21-17(22(29)26(3)4)14-15-13-16(27)5-11-24(15,2)18(21)7-12-25(19,23)20(28)8-10-23/h6,13,17H,5,7-12,14H2,1-4H3/t17-,23+,24?,25-/m1/s1.
What are the key properties of (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide?
(5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R,20R)-N,N,5,13-tetramethyl-8,16-dioxopentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-20-carboxamide is sourced from PubChem (CID 59047551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).