3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione

C18H24N2O3 — CID 140753552

IUPAC3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione
SMILESCC1Oc2cccc(c2)C(=O)NCCCCC(=O)N2CCCC12
InChIInChI=1S/C18H24N2O3/c1-13-16-8-5-11-20(16)17(21)9-2-3-10-19-18(22)14-6-4-7-15(12-14)23-13/h4,6-7,12-13,16H,2-3,5,8-11H2,1H3,(H,19,22)
InChIKeyIGULPWDLQWTXDB-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.36
Rot. Bonds

About 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione

3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione (PubChem CID 140753552) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione.

Molecular Properties

Compound Name3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione
PubChem CID140753552
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione
SMILESCC1Oc2cccc(c2)C(=O)NCCCCC(=O)N2CCCC12
InChIInChI=1S/C18H24N2O3/c1-13-16-8-5-11-20(16)17(21)9-2-3-10-19-18(22)14-6-4-7-15(12-14)23-13/h4,6-7,12-13,16H,2-3,5,8-11H2,1H3,(H,19,22)
InChIKeyIGULPWDLQWTXDB-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione?
The IUPAC name of 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione (CID 140753552) is 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione.
What is the SMILES notation for 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione?
The canonical SMILES for 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione is CC1Oc2cccc(c2)C(=O)NCCCCC(=O)N2CCCC12.
What is the InChIKey of 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione?
The InChIKey is IGULPWDLQWTXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-16-8-5-11-20(16)17(21)9-2-3-10-19-18(22)14-6-4-7-15(12-14)23-13/h4,6-7,12-13,16H,2-3,5,8-11H2,1H3,(H,19,22).
What are the key properties of 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione?
3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione has a molecular weight of 316.40 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxa-8,14-diazatricyclo[14.3.1.04,8]icosa-1(19),16(20),17-triene-9,15-dione is sourced from PubChem (CID 140753552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).