4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide

C15H20N2O3 — CID 91661261

IUPAC4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide
SMILESCc1ccc(C(=O)CCN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)14(18)6-7-17-8-9-20-10-13(17)15(16)19/h2-5,13H,6-10H2,1H3,(H2,16,19)
InChIKeyJDRHYAWWLGQFDI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.75
Rot. Bonds5

About 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide

4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide (PubChem CID 91661261) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide
PubChem CID91661261
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide
SMILESCc1ccc(C(=O)CCN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)14(18)6-7-17-8-9-20-10-13(17)15(16)19/h2-5,13H,6-10H2,1H3,(H2,16,19)
InChIKeyJDRHYAWWLGQFDI-UHFFFAOYSA-N
XLogP0.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide?
The IUPAC name of 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide (CID 91661261) is 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide is Cc1ccc(C(=O)CCN2CCOCC2C(N)=O)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide?
The InChIKey is JDRHYAWWLGQFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-2-4-12(5-3-11)14(18)6-7-17-8-9-20-10-13(17)15(16)19/h2-5,13H,6-10H2,1H3,(H2,16,19).
What are the key properties of 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide?
4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-3-oxopropyl]morpholine-3-carboxamide is sourced from PubChem (CID 91661261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).