[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate

C15H17Cl2NO4 — CID 4151527

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NCC1CCCO1
InChIInChI=1S/C15H17Cl2NO4/c16-12-4-1-5-13(17)11(12)7-15(20)22-9-14(19)18-8-10-3-2-6-21-10/h1,4-5,10H,2-3,6-9H2,(H,18,19)
InChIKeyVLPSMTWXPVFABM-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.37
Rot. Bonds6

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 4151527) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID4151527
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NCC1CCCO1
InChIInChI=1S/C15H17Cl2NO4/c16-12-4-1-5-13(17)11(12)7-15(20)22-9-14(19)18-8-10-3-2-6-21-10/h1,4-5,10H,2-3,6-9H2,(H,18,19)
InChIKeyVLPSMTWXPVFABM-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Cyclopentylcarbamoyl)methyl 2-(4-chlorophenyl)acetate
CID 2521019
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 4638997
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2394155
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2514531
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2547991
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2999601
(2-Oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
CID 2358398
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2365140
[2-(2-Methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2370631
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2389868
[2-(Ethylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2435044
(2-Morpholin-4-yl-2-oxoethyl) 2-(2,6-dichlorophenyl)acetate
CID 3255851

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate (CID 4151527) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate is O=C(COC(=O)Cc1c(Cl)cccc1Cl)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is VLPSMTWXPVFABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c16-12-4-1-5-13(17)11(12)7-15(20)22-9-14(19)18-8-10-3-2-6-21-10/h1,4-5,10H,2-3,6-9H2,(H,18,19).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 346.21 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 4151527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).