(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate

C13H14INO4 — CID 2418496

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(I)c1
InChIInChI=1S/C13H14INO4/c14-11-3-1-2-10(8-11)13(17)19-9-12(16)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyBWYQQRVMOCNDSX-UHFFFAOYSA-N
MW375.16 g/mol
LogP1.31
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate

(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate (PubChem CID 2418496) has the molecular formula C13H14INO4 and a molecular weight of 375.16 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
PubChem CID2418496
Molecular FormulaC13H14INO4
Molecular Weight375.16 g/mol
Exact Mass375.00
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1cccc(I)c1
InChIInChI=1S/C13H14INO4/c14-11-3-1-2-10(8-11)13(17)19-9-12(16)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyBWYQQRVMOCNDSX-UHFFFAOYSA-N
XLogP1.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204669
(2-morpholin-4-yl-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836549
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 113352781
[2-(azepan-1-yl)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 16521666
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7789969
(2-morpholin-4-yl-2-oxoethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate
CID 7790691
(2-morpholin-4-yl-2-oxoethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101051
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2433649

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate (CID 2418496) is (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate is O=C(OCC(=O)N1CCOCC1)c1cccc(I)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate?
The InChIKey is BWYQQRVMOCNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO4/c14-11-3-1-2-10(8-11)13(17)19-9-12(16)15-4-6-18-7-5-15/h1-3,8H,4-7,9H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate has a molecular weight of 375.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate is sourced from PubChem (CID 2418496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).