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

C15H27N3O3 — CID 110202162

IUPAC(1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCCNC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H27N3O3/c1-2-7-17-15(20)18-9-4-10-21-11-8-16-14(19)12-5-3-6-13(12)18/h12-13H,2-11H2,1H3,(H,16,19)(H,17,20)/t12-,13+/m1/s1
InChIKeyCKNKLSJXMSBBFH-OLZOCXBDSA-N
MW297.40 g/mol
LogP1.11
Rot. Bonds2

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

(1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (PubChem CID 110202162) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.

Molecular Properties

Compound Name(1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
PubChem CID110202162
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
SMILESCCCNC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C15H27N3O3/c1-2-7-17-15(20)18-9-4-10-21-11-8-16-14(19)12-5-3-6-13(12)18/h12-13H,2-11H2,1H3,(H,16,19)(H,17,20)/t12-,13+/m1/s1
InChIKeyCKNKLSJXMSBBFH-OLZOCXBDSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The IUPAC name of (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide (CID 110202162) is (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide.
What is the SMILES notation for (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The canonical SMILES for (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is CCCNC(=O)N1CCCOCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
The InChIKey is CKNKLSJXMSBBFH-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-7-17-15(20)18-9-4-10-21-11-8-16-14(19)12-5-3-6-13(12)18/h12-13H,2-11H2,1H3,(H,16,19)(H,17,20)/t12-,13+/m1/s1.
What are the key properties of (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide?
(1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-10-oxo-N-propyl-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide is sourced from PubChem (CID 110202162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).