(1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

C14H25N3O3 — CID 110202159

IUPAC(1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCNC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H25N3O3/c1-2-15-14(19)17-8-4-9-20-10-7-16-13(18)11-5-3-6-12(11)17/h11-12H,2-10H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m1/s1
InChIKeyDCRXEGZGQNEXNL-NEPJUHHUSA-N
MW283.37 g/mol
LogP0.72
Rot. Bonds1

About (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide

(1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110202159) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110202159
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCNC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C14H25N3O3/c1-2-15-14(19)17-8-4-9-20-10-7-16-13(18)11-5-3-6-12(11)17/h11-12H,2-10H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m1/s1
InChIKeyDCRXEGZGQNEXNL-NEPJUHHUSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110202159) is (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is CCNC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is DCRXEGZGQNEXNL-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-15-14(19)17-8-4-9-20-10-7-16-13(18)11-5-3-6-12(11)17/h11-12H,2-10H2,1H3,(H,15,19)(H,16,18)/t11-,12+/m1/s1.
What are the key properties of (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-N-ethyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110202159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).