(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

C17H31N3O2 — CID 110199325

IUPAC(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCN(CC)C(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C17H31N3O2/c1-3-19(4-2)17(22)20-13-8-6-5-7-12-18-16(21)14-10-9-11-15(14)20/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyWXOBUMYTBDKTMV-CABCVRRESA-N
MW309.45 g/mol
LogP2.61
Rot. Bonds2

About (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110199325) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110199325
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCN(CC)C(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C17H31N3O2/c1-3-19(4-2)17(22)20-13-8-6-5-7-12-18-16(21)14-10-9-11-15(14)20/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyWXOBUMYTBDKTMV-CABCVRRESA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110199325) is (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is CCN(CC)C(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is WXOBUMYTBDKTMV-CABCVRRESA-N. The full InChI is InChI=1S/C17H31N3O2/c1-3-19(4-2)17(22)20-13-8-6-5-7-12-18-16(21)14-10-9-11-15(14)20/h14-15H,3-13H2,1-2H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N,N-diethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110199325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).