(4-propanoylphenyl) morpholine-4-carboxylate

C14H17NO4 — CID 2927676

IUPAC(4-propanoylphenyl) morpholine-4-carboxylate
SMILESCCC(=O)c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c1-2-13(16)11-3-5-12(6-4-11)19-14(17)15-7-9-18-10-8-15/h3-6H,2,7-10H2,1H3
InChIKeyXGYNVMSKENHRGK-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.11
Rot. Bonds3

About (4-propanoylphenyl) morpholine-4-carboxylate

(4-propanoylphenyl) morpholine-4-carboxylate (PubChem CID 2927676) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (4-propanoylphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-propanoylphenyl) morpholine-4-carboxylate
PubChem CID2927676
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(4-propanoylphenyl) morpholine-4-carboxylate
SMILESCCC(=O)c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO4/c1-2-13(16)11-3-5-12(6-4-11)19-14(17)15-7-9-18-10-8-15/h3-6H,2,7-10H2,1H3
InChIKeyXGYNVMSKENHRGK-UHFFFAOYSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dyclonine
CID 3180
Dyclonine Hydrochloride
CID 68304
Parethoxycaine
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Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
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Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
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1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 70563
2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
CID 35751
[4-[2-(Diethylamino)ethoxy]phenyl]phenylmethanone
CID 69931
2-(4-Benzoylphenoxy)-1-(morpholin-4-yl)ethan-1-one
CID 2457115
Propiophenone, 4'-isobutoxy-3-piperidino-, hydrochloride
CID 115931
Propiophenone, 4'-butoxy-3-morpholino-, hydrochloride
CID 199911

Frequently Asked Questions

What is the IUPAC name of (4-propanoylphenyl) morpholine-4-carboxylate?
The IUPAC name of (4-propanoylphenyl) morpholine-4-carboxylate (CID 2927676) is (4-propanoylphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (4-propanoylphenyl) morpholine-4-carboxylate?
The canonical SMILES for (4-propanoylphenyl) morpholine-4-carboxylate is CCC(=O)c1ccc(OC(=O)N2CCOCC2)cc1.
What is the InChIKey of (4-propanoylphenyl) morpholine-4-carboxylate?
The InChIKey is XGYNVMSKENHRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-13(16)11-3-5-12(6-4-11)19-14(17)15-7-9-18-10-8-15/h3-6H,2,7-10H2,1H3.
What are the key properties of (4-propanoylphenyl) morpholine-4-carboxylate?
(4-propanoylphenyl) morpholine-4-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propanoylphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 2927676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).