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

C13H16N2O4 — CID 83095436

IUPAC4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c14-13(18)11-8-19-6-5-15(11)7-12(17)9-1-3-10(16)4-2-9/h1-4,11,16H,5-8H2,(H2,14,18)
InChIKeyUPOSIMZJDBVVBG-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.24
Rot. Bonds4

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

4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83095436) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83095436
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c14-13(18)11-8-19-6-5-15(11)7-12(17)9-1-3-10(16)4-2-9/h1-4,11,16H,5-8H2,(H2,14,18)
InChIKeyUPOSIMZJDBVVBG-UHFFFAOYSA-N
XLogP-0.24
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide (CID 83095436) is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is UPOSIMZJDBVVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-13(18)11-8-19-6-5-15(11)7-12(17)9-1-3-10(16)4-2-9/h1-4,11,16H,5-8H2,(H2,14,18).
What are the key properties of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).