4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one

C17H22N2O4 — CID 71877940

IUPAC4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one
SMILESCC1CN(C(=O)C2COCC(=O)N2Cc2ccccc2)CCO1
InChIInChI=1S/C17H22N2O4/c1-13-9-18(7-8-23-13)17(21)15-11-22-12-16(20)19(15)10-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyPNJAUTFSRKFQOJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.66
Rot. Bonds3

About 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one

4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one (PubChem CID 71877940) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one
PubChem CID71877940
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one
SMILESCC1CN(C(=O)C2COCC(=O)N2Cc2ccccc2)CCO1
InChIInChI=1S/C17H22N2O4/c1-13-9-18(7-8-23-13)17(21)15-11-22-12-16(20)19(15)10-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyPNJAUTFSRKFQOJ-UHFFFAOYSA-N
XLogP0.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one?
The IUPAC name of 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one (CID 71877940) is 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one is CC1CN(C(=O)C2COCC(=O)N2Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one?
The InChIKey is PNJAUTFSRKFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13-9-18(7-8-23-13)17(21)15-11-22-12-16(20)19(15)10-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one?
4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one has a molecular weight of 318.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(2-methylmorpholine-4-carbonyl)morpholin-3-one is sourced from PubChem (CID 71877940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).