[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate

C16H19NO5 — CID 12796014

IUPAC[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(c1c(C)cccc1C)C1CCOC1=O
InChIInChI=1S/C16H19NO5/c1-10-5-4-6-11(2)15(10)17(13-7-8-21-16(13)20)14(19)9-22-12(3)18/h4-6,13H,7-9H2,1-3H3
InChIKeyLBYCVBUCBKMKPB-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.52
Rot. Bonds4

About [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate

[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate (PubChem CID 12796014) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate
PubChem CID12796014
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N(c1c(C)cccc1C)C1CCOC1=O
InChIInChI=1S/C16H19NO5/c1-10-5-4-6-11(2)15(10)17(13-7-8-21-16(13)20)14(19)9-22-12(3)18/h4-6,13H,7-9H2,1-3H3
InChIKeyLBYCVBUCBKMKPB-UHFFFAOYSA-N
XLogP1.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate
CID 13118641
2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide;methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67072850
N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)but-2-enamide
CID 71403746
N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide
CID 12836731
N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)-2-phenylethanethioamide
CID 152689807
2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide;N-[2-(disulfidomethylamino)ethyl]carbamodithioate;manganese(2+)
CID 3036788
N-(4-methylphenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide
CID 151987283
(2-oxooxolan-3-yl)methyl acetate
CID 12039852
2-(2-oxooxolan-3-yl)ethyl acetate
CID 11008384
methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate
CID 60720902
3-[3-aminopropyl(methyl)amino]oxolan-2-one
CID 115319333
3-[(4-aminophenyl)methyl-methylamino]oxolan-2-one
CID 43458265

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate (CID 12796014) is [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)N(c1c(C)cccc1C)C1CCOC1=O.
What is the InChIKey of [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate?
The InChIKey is LBYCVBUCBKMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10-5-4-6-11(2)15(10)17(13-7-8-21-16(13)20)14(19)9-22-12(3)18/h4-6,13H,7-9H2,1-3H3.
What are the key properties of [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate?
[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate has a molecular weight of 305.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate is sourced from PubChem (CID 12796014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).