15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione

C18H31NO2 — CID 166858151

IUPAC15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione
SMILESCC(C)C1CC2C(=O)CCCCCCCCCC(=O)N2C1
InChIInChI=1S/C18H31NO2/c1-14(2)15-12-16-17(20)10-8-6-4-3-5-7-9-11-18(21)19(16)13-15/h14-16H,3-13H2,1-2H3
InChIKeySGBCCAKTNXFBOS-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.95
Rot. Bonds1

About 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione

15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione (PubChem CID 166858151) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione.

Molecular Properties

Compound Name15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione
PubChem CID166858151
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione
SMILESCC(C)C1CC2C(=O)CCCCCCCCCC(=O)N2C1
InChIInChI=1S/C18H31NO2/c1-14(2)15-12-16-17(20)10-8-6-4-3-5-7-9-11-18(21)19(16)13-15/h14-16H,3-13H2,1-2H3
InChIKeySGBCCAKTNXFBOS-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione?
The IUPAC name of 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione (CID 166858151) is 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione.
What is the SMILES notation for 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione?
The canonical SMILES for 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione is CC(C)C1CC2C(=O)CCCCCCCCCC(=O)N2C1.
What is the InChIKey of 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione?
The InChIKey is SGBCCAKTNXFBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)15-12-16-17(20)10-8-6-4-3-5-7-9-11-18(21)19(16)13-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione?
15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione has a molecular weight of 293.45 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-propan-2-yl-1-azabicyclo[11.3.0]hexadecane-2,12-dione is sourced from PubChem (CID 166858151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).