(4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate

C14H17NO5 — CID 728819

IUPAC(4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(C(C)=O)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c1-10(16)11-3-4-12(13(9-11)18-2)20-14(17)15-5-7-19-8-6-15/h3-4,9H,5-8H2,1-2H3
InChIKeyZMYQWDADCCMMSA-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.73
Rot. Bonds3

About (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate

(4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate (PubChem CID 728819) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate
PubChem CID728819
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate
SMILESCOc1cc(C(C)=O)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO5/c1-10(16)11-3-4-12(13(9-11)18-2)20-14(17)15-5-7-19-8-6-15/h3-4,9H,5-8H2,1-2H3
InChIKeyZMYQWDADCCMMSA-UHFFFAOYSA-N
XLogP1.73
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Morpholino-1-methylethyl-3,4,5-trimethoxybenzoate
CID 43265
1-(3,4-Dimethoxy-phenyl)-4-[4-(1-ethyl-propyl)-piperazin-1-yl]-butane-1,4-dione
CID 10452164
2-Formyl-6-methoxyphenyl morpholine-4-carboxylate
CID 575110
(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 966574
Acetophenone, 4'-morpholinocarbonylmethoxy-
CID 34762
Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester
CID 43267
3-Methoxy-4-(2-(morpholin-4-yl)-2-oxoethoxy)benzaldehyde
CID 689833
N,N-diethyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 673707
8-Methoxy-2-morpholin-4-yl-chromen-4-one
CID 11482391
(4-Propanoylphenyl) morpholine-4-carboxylate
CID 2927676
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
1-[4-[2-(4-Morpholinyl)ethoxy]phenyl]-1-propanone
CID 209941

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate?
The IUPAC name of (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate (CID 728819) is (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate?
The canonical SMILES for (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate is COc1cc(C(C)=O)ccc1OC(=O)N1CCOCC1.
What is the InChIKey of (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate?
The InChIKey is ZMYQWDADCCMMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-10(16)11-3-4-12(13(9-11)18-2)20-14(17)15-5-7-19-8-6-15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate?
(4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-2-methoxyphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 728819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).