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

C15H27N3O2 — CID 110199323

IUPAC(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCNC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H27N3O2/c1-2-16-15(20)18-11-6-4-3-5-10-17-14(19)12-8-7-9-13(12)18/h12-13H,2-11H2,1H3,(H,16,20)(H,17,19)/t12-,13+/m1/s1
InChIKeyOTDIUTAIZMZBNZ-OLZOCXBDSA-N
MW281.40 g/mol
LogP1.88
Rot. Bonds1

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

(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110199323) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110199323
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCNC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H27N3O2/c1-2-16-15(20)18-11-6-4-3-5-10-17-14(19)12-8-7-9-13(12)18/h12-13H,2-11H2,1H3,(H,16,20)(H,17,19)/t12-,13+/m1/s1
InChIKeyOTDIUTAIZMZBNZ-OLZOCXBDSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110199323) is (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is CCNC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is OTDIUTAIZMZBNZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-16-15(20)18-11-6-4-3-5-10-17-14(19)12-8-7-9-13(12)18/h12-13H,2-11H2,1H3,(H,16,20)(H,17,19)/t12-,13+/m1/s1.
What are the key properties of (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-ethyl-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110199323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).