4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide

C14H15N3O3 — CID 83095631

IUPAC4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESN#Cc1ccc(C(=O)CN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C14H15N3O3/c15-7-10-1-3-11(4-2-10)13(18)8-17-5-6-20-9-12(17)14(16)19/h1-4,12H,5-6,8-9H2,(H2,16,19)
InChIKeyJFKPFYQJFHUQCG-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.07
Rot. Bonds4

About 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide

4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83095631) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83095631
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESN#Cc1ccc(C(=O)CN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C14H15N3O3/c15-7-10-1-3-11(4-2-10)13(18)8-17-5-6-20-9-12(17)14(16)19/h1-4,12H,5-6,8-9H2,(H2,16,19)
InChIKeyJFKPFYQJFHUQCG-UHFFFAOYSA-N
XLogP-0.07
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide (CID 83095631) is 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide is N#Cc1ccc(C(=O)CN2CCOCC2C(N)=O)cc1.
What is the InChIKey of 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is JFKPFYQJFHUQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-7-10-1-3-11(4-2-10)13(18)8-17-5-6-20-9-12(17)14(16)19/h1-4,12H,5-6,8-9H2,(H2,16,19).
What are the key properties of 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).