(1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione

C16H18N2O4 — CID 99796567

IUPAC(1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione
SMILESCC1(C)O[C@H]2NC(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3OC[C@@H]21
InChIInChI=1S/C16H18N2O4/c1-16(2)9-7-21-10-6-4-3-5-8(10)11(9)12-13(19)17-15(20)18-14(12)22-16/h3-6,9,11-12,14H,7H2,1-2H3,(H2,17,18,19,20)/t9-,11+,12+,14+/m0/s1
InChIKeyRABQDEDLDXSAFJ-LEJCRSTHSA-N
MW302.33 g/mol
LogP1.37
Rot. Bonds

About (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione

(1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione (PubChem CID 99796567) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione.

Molecular Properties

Compound Name(1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione
PubChem CID99796567
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione
SMILESCC1(C)O[C@H]2NC(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3OC[C@@H]21
InChIInChI=1S/C16H18N2O4/c1-16(2)9-7-21-10-6-4-3-5-8(10)11(9)12-13(19)17-15(20)18-14(12)22-16/h3-6,9,11-12,14H,7H2,1-2H3,(H2,17,18,19,20)/t9-,11+,12+,14+/m0/s1
InChIKeyRABQDEDLDXSAFJ-LEJCRSTHSA-N
XLogP1.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione?
The IUPAC name of (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione (CID 99796567) is (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione.
What is the SMILES notation for (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione?
The canonical SMILES for (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione is CC1(C)O[C@H]2NC(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3OC[C@@H]21.
What is the InChIKey of (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione?
The InChIKey is RABQDEDLDXSAFJ-LEJCRSTHSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-16(2)9-7-21-10-6-4-3-5-8(10)11(9)12-13(19)17-15(20)18-14(12)22-16/h3-6,9,11-12,14H,7H2,1-2H3,(H2,17,18,19,20)/t9-,11+,12+,14+/m0/s1.
What are the key properties of (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione?
(1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione has a molecular weight of 302.33 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7R,10R)-9,9-dimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-13,15,17-triene-3,5-dione is sourced from PubChem (CID 99796567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).