4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide

C14H18N2O4 — CID 83102810

IUPAC4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O4/c1-15-14(19)12-9-20-7-6-16(12)8-13(18)10-2-4-11(17)5-3-10/h2-5,12,17H,6-9H2,1H3,(H,15,19)
InChIKeyJGTATUOAJRATRA-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.02
Rot. Bonds4

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

4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83102810) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83102810
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O4/c1-15-14(19)12-9-20-7-6-16(12)8-13(18)10-2-4-11(17)5-3-10/h2-5,12,17H,6-9H2,1H3,(H,15,19)
InChIKeyJGTATUOAJRATRA-UHFFFAOYSA-N
XLogP0.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,4-difluorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101984
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095436
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
2-(3-ethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43797584
N-methyl-4-(2-oxo-2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 83102887
4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103671
4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102101
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103739
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide (CID 83102810) is 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is JGTATUOAJRATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-14(19)12-9-20-7-6-16(12)8-13(18)10-2-4-11(17)5-3-10/h2-5,12,17H,6-9H2,1H3,(H,15,19).
What are the key properties of 4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.02, 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]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83102810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).