N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide

C16H23N3O4 — CID 3703994

IUPACN-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide
SMILESCOC1CC2C(=O)N3CCC(NC(=O)C4CCC4)C3C(=O)N2C1
InChIInChI=1S/C16H23N3O4/c1-23-10-7-12-15(21)18-6-5-11(13(18)16(22)19(12)8-10)17-14(20)9-3-2-4-9/h9-13H,2-8H2,1H3,(H,17,20)
InChIKeyXETIANMVZJMIQO-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.50
Rot. Bonds3

About N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide

N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide (PubChem CID 3703994) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide
PubChem CID3703994
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide
SMILESCOC1CC2C(=O)N3CCC(NC(=O)C4CCC4)C3C(=O)N2C1
InChIInChI=1S/C16H23N3O4/c1-23-10-7-12-15(21)18-6-5-11(13(18)16(22)19(12)8-10)17-14(20)9-3-2-4-9/h9-13H,2-8H2,1H3,(H,17,20)
InChIKeyXETIANMVZJMIQO-UHFFFAOYSA-N
XLogP-0.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide?
The IUPAC name of N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide (CID 3703994) is N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide is COC1CC2C(=O)N3CCC(NC(=O)C4CCC4)C3C(=O)N2C1.
What is the InChIKey of N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide?
The InChIKey is XETIANMVZJMIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-23-10-7-12-15(21)18-6-5-11(13(18)16(22)19(12)8-10)17-14(20)9-3-2-4-9/h9-13H,2-8H2,1H3,(H,17,20).
What are the key properties of N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide?
N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide is sourced from PubChem (CID 3703994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).