N-(3-acetylphenyl)morpholine-4-carboxamide

C13H16N2O3 — CID 671267

IUPACN-(3-acetylphenyl)morpholine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKeyGFGGXIIHWJXKMZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.75
Rot. Bonds2

About N-(3-acetylphenyl)morpholine-4-carboxamide

N-(3-acetylphenyl)morpholine-4-carboxamide (PubChem CID 671267) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)morpholine-4-carboxamide
PubChem CID671267
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(3-acetylphenyl)morpholine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKeyGFGGXIIHWJXKMZ-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)morpholine-4-carboxamide (CID 671267) is N-(3-acetylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)morpholine-4-carboxamide is CC(=O)c1cccc(NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)morpholine-4-carboxamide?
The InChIKey is GFGGXIIHWJXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17).
What are the key properties of N-(3-acetylphenyl)morpholine-4-carboxamide?
N-(3-acetylphenyl)morpholine-4-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 671267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).