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

C19H32N2O4 — CID 70027143

IUPAC(3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
SMILESC=C(CCC(=O)N1CCOCC1)[C@@H](C)C(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C19H32N2O4/c1-15(5-6-17(22)20-7-11-24-12-8-20)16(2)19(3,4)18(23)21-9-13-25-14-10-21/h16H,1,5-14H2,2-4H3/t16-/m1/s1
InChIKeyGWUJDGGFUIGWSB-MRXNPFEDSA-N
MW352.48 g/mol
LogP1.70
Rot. Bonds6

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

(3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione (PubChem CID 70027143) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione.

Molecular Properties

Compound Name(3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
PubChem CID70027143
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name(3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
SMILESC=C(CCC(=O)N1CCOCC1)[C@@H](C)C(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C19H32N2O4/c1-15(5-6-17(22)20-7-11-24-12-8-20)16(2)19(3,4)18(23)21-9-13-25-14-10-21/h16H,1,5-14H2,2-4H3/t16-/m1/s1
InChIKeyGWUJDGGFUIGWSB-MRXNPFEDSA-N
XLogP1.70
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 ≤ 51.70
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 (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
The IUPAC name of (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione (CID 70027143) is (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione.
What is the SMILES notation for (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
The canonical SMILES for (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione is C=C(CCC(=O)N1CCOCC1)[C@@H](C)C(C)(C)C(=O)N1CCOCC1.
What is the InChIKey of (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
The InChIKey is GWUJDGGFUIGWSB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-15(5-6-17(22)20-7-11-24-12-8-20)16(2)19(3,4)18(23)21-9-13-25-14-10-21/h16H,1,5-14H2,2-4H3/t16-/m1/s1.
What are the key properties of (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione?
(3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione has a molecular weight of 352.48 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione is sourced from PubChem (CID 70027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).