2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide

C14H19N3O3 — CID 75452640

IUPAC2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide
SMILESCNC(=O)C1CN(C(=O)Nc2cccc(C)c2)CCO1
InChIInChI=1S/C14H19N3O3/c1-10-4-3-5-11(8-10)16-14(19)17-6-7-20-12(9-17)13(18)15-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQXLFRGYHAGORSH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.97
Rot. Bonds2

About 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide

2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide (PubChem CID 75452640) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide
PubChem CID75452640
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide
SMILESCNC(=O)C1CN(C(=O)Nc2cccc(C)c2)CCO1
InChIInChI=1S/C14H19N3O3/c1-10-4-3-5-11(8-10)16-14(19)17-6-7-20-12(9-17)13(18)15-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQXLFRGYHAGORSH-UHFFFAOYSA-N
XLogP0.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide?
The IUPAC name of 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide (CID 75452640) is 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide?
The canonical SMILES for 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide is CNC(=O)C1CN(C(=O)Nc2cccc(C)c2)CCO1.
What is the InChIKey of 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide?
The InChIKey is QXLFRGYHAGORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-3-5-11(8-10)16-14(19)17-6-7-20-12(9-17)13(18)15-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide?
2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(3-methylphenyl)morpholine-2,4-dicarboxamide is sourced from PubChem (CID 75452640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).