(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione

C19H32N2O4 — CID 11451020

IUPAC(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
SMILESC=C(C[C@@H](C)C(=O)N1CCOCC1)[C@H](C)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C19H32N2O4/c1-14(13-15(2)18(22)20-5-9-24-10-6-20)16(3)17(4)19(23)21-7-11-25-12-8-21/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-/m1/s1
InChIKeyKMIFZDDXHUWFCF-IXDOHACOSA-N
MW352.48 g/mol
LogP1.56
Rot. Bonds6

About (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione

(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione (PubChem CID 11451020) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione.

Molecular Properties

Compound Name(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
PubChem CID11451020
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
SMILESC=C(C[C@@H](C)C(=O)N1CCOCC1)[C@H](C)[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C19H32N2O4/c1-14(13-15(2)18(22)20-5-9-24-10-6-20)16(3)17(4)19(23)21-7-11-25-12-8-21/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-/m1/s1
InChIKeyKMIFZDDXHUWFCF-IXDOHACOSA-N
XLogP1.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
The IUPAC name of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione (CID 11451020) is (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione.
What is the SMILES notation for (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
The canonical SMILES for (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione is C=C(C[C@@H](C)C(=O)N1CCOCC1)[C@H](C)[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
The InChIKey is KMIFZDDXHUWFCF-IXDOHACOSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-14(13-15(2)18(22)20-5-9-24-10-6-20)16(3)17(4)19(23)21-7-11-25-12-8-21/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-/m1/s1.
What are the key properties of (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione has a molecular weight of 352.48 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione is sourced from PubChem (CID 11451020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).