(2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone

C18H22N2O4 — CID 46930231

IUPAC(2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
SMILESCCC[C@@H]1CC2=C(C[C@H](CC)CC3=C1C(=O)NC3=O)C(=O)NC2=O
InChIInChI=1S/C18H22N2O4/c1-3-5-10-8-12-11(15(21)19-16(12)22)6-9(4-2)7-13-14(10)18(24)20-17(13)23/h9-10H,3-8H2,1-2H3,(H,19,21,22)(H,20,23,24)/t9-,10+/m0/s1
InChIKeyICDJXACGCYLETL-VHSXEESVSA-N
MW330.38 g/mol
LogP1.52
Rot. Bonds3

About (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone

(2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone (PubChem CID 46930231) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone.

Molecular Properties

Compound Name(2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
PubChem CID46930231
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
SMILESCCC[C@@H]1CC2=C(C[C@H](CC)CC3=C1C(=O)NC3=O)C(=O)NC2=O
InChIInChI=1S/C18H22N2O4/c1-3-5-10-8-12-11(15(21)19-16(12)22)6-9(4-2)7-13-14(10)18(24)20-17(13)23/h9-10H,3-8H2,1-2H3,(H,19,21,22)(H,20,23,24)/t9-,10+/m0/s1
InChIKeyICDJXACGCYLETL-VHSXEESVSA-N
XLogP1.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone with MolForge

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Related Compounds

3-Methyl-4-(5,9,13-trimethyltetradecyl)-1H-pyrrole-2,5-dione
CID 558334
3-[9-(2,5-Dioxopyrrol-3-yl)-4,6-diethylnonyl]pyrrole-2,5-dione
CID 17992943
3-Cyclohexyl-4-methylpyrrole-2,5-dione
CID 19910844
3-Dodecyl-4-methylpyrrole-2,5-dione
CID 21399372
3-Cyclohexyl-4-ethylpyrrole-2,5-dione
CID 21652865
3,4-Dicyclohexylpyrrole-2,5-dione
CID 21996678
4-Methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 23039100
5-Methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 23039101
3-Ethyl-4-pentylpyrrole-2,5-dione
CID 23130168
3-[6-(2,5-Dioxopyrrol-3-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione
CID 56619922
3-[7-(2,5-Dioxopyrrol-3-yl)-5-methylheptyl]pyrrole-2,5-dione
CID 56980322
3,4-Dipentylpyrrole-2,5-dione
CID 66706339

Frequently Asked Questions

What is the IUPAC name of (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone?
The IUPAC name of (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone (CID 46930231) is (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone.
What is the SMILES notation for (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone?
The canonical SMILES for (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone is CCC[C@@H]1CC2=C(C[C@H](CC)CC3=C1C(=O)NC3=O)C(=O)NC2=O.
What is the InChIKey of (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone?
The InChIKey is ICDJXACGCYLETL-VHSXEESVSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-5-10-8-12-11(15(21)19-16(12)22)6-9(4-2)7-13-14(10)18(24)20-17(13)23/h9-10H,3-8H2,1-2H3,(H,19,21,22)(H,20,23,24)/t9-,10+/m0/s1.
What are the key properties of (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone?
(2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone has a molecular weight of 330.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10S)-10-ethyl-2-propyl-6,14-diazatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone is sourced from PubChem (CID 46930231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).