(5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

C19H30N4O6 — CID 25091688

IUPAC(5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)NCCN3CCOCC3)C23CC[C@H]1O3
InChIInChI=1S/C19H30N4O6/c1-20-16(25)13-12-2-3-19(29-12)14(13)18(27)23(6-9-24)15(19)17(26)21-4-5-22-7-10-28-11-8-22/h12-15,24H,2-11H2,1H3,(H,20,25)(H,21,26)/t12-,13+,14+,15?,19?/m1/s1
InChIKeyZUKPQFFXVOQRGL-OOTKPJKESA-N
MW410.47 g/mol
LogP-2.45
Rot. Bonds7

About (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

(5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 25091688) has the molecular formula C19H30N4O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

Molecular Properties

Compound Name(5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
PubChem CID25091688
Molecular FormulaC19H30N4O6
Molecular Weight410.47 g/mol
Exact Mass410.22
IUPAC Name(5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)NCCN3CCOCC3)C23CC[C@H]1O3
InChIInChI=1S/C19H30N4O6/c1-20-16(25)13-12-2-3-19(29-12)14(13)18(27)23(6-9-24)15(19)17(26)21-4-5-22-7-10-28-11-8-22/h12-15,24H,2-11H2,1H3,(H,20,25)(H,21,26)/t12-,13+,14+,15?,19?/m1/s1
InChIKeyZUKPQFFXVOQRGL-OOTKPJKESA-N
XLogP-2.45
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The IUPAC name of (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 25091688) is (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.
What is the SMILES notation for (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The canonical SMILES for (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)NCCN3CCOCC3)C23CC[C@H]1O3.
What is the InChIKey of (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The InChIKey is ZUKPQFFXVOQRGL-OOTKPJKESA-N. The full InChI is InChI=1S/C19H30N4O6/c1-20-16(25)13-12-2-3-19(29-12)14(13)18(27)23(6-9-24)15(19)17(26)21-4-5-22-7-10-28-11-8-22/h12-15,24H,2-11H2,1H3,(H,20,25)(H,21,26)/t12-,13+,14+,15?,19?/m1/s1.
What are the key properties of (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
(5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 410.47 g/mol, XLogP of -2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R)-3-(2-hydroxyethyl)-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 25091688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).