(2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione

C17H24N2O4 — CID 134695136

IUPAC(2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H]1C[C@@H]3CC(C3(C)C)[C@@]1(CCO)O2
InChIInChI=1S/C17H24N2O4/c1-16(2)9-7-10-12-13(21)18(3)15(22)19(4)14(12)23-17(10,5-6-20)11(16)8-9/h9-11,20H,5-8H2,1-4H3/t9-,10-,11?,17+/m1/s1
InChIKeyCSCXDGNLHJHCJB-XGRPIWJWSA-N
MW320.39 g/mol
LogP0.75
Rot. Bonds2

About (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione

(2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione (PubChem CID 134695136) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione.

Molecular Properties

Compound Name(2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione
PubChem CID134695136
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H]1C[C@@H]3CC(C3(C)C)[C@@]1(CCO)O2
InChIInChI=1S/C17H24N2O4/c1-16(2)9-7-10-12-13(21)18(3)15(22)19(4)14(12)23-17(10,5-6-20)11(16)8-9/h9-11,20H,5-8H2,1-4H3/t9-,10-,11?,17+/m1/s1
InChIKeyCSCXDGNLHJHCJB-XGRPIWJWSA-N
XLogP0.75
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione?
The IUPAC name of (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione (CID 134695136) is (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione.
What is the SMILES notation for (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione?
The canonical SMILES for (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione is Cn1c2c(c(=O)n(C)c1=O)[C@H]1C[C@@H]3CC(C3(C)C)[C@@]1(CCO)O2.
What is the InChIKey of (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione?
The InChIKey is CSCXDGNLHJHCJB-XGRPIWJWSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-16(2)9-7-10-12-13(21)18(3)15(22)19(4)14(12)23-17(10,5-6-20)11(16)8-9/h9-11,20H,5-8H2,1-4H3/t9-,10-,11?,17+/m1/s1.
What are the key properties of (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione?
(2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione has a molecular weight of 320.39 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione is sourced from PubChem (CID 134695136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).