methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate

C13H18N2O4 — CID 52704348

IUPACmethyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
SMILESCOC(=O)CNc1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-15(2)12(16)9-19-11-6-4-5-10(7-11)14-8-13(17)18-3/h4-7,14H,8-9H2,1-3H3
InChIKeyXWUPMJITMYNEIM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.74
Rot. Bonds6

About methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate

methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate (PubChem CID 52704348) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
PubChem CID52704348
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
SMILESCOC(=O)CNc1cccc(OCC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-15(2)12(16)9-19-11-6-4-5-10(7-11)14-8-13(17)18-3/h4-7,14H,8-9H2,1-3H3
InChIKeyXWUPMJITMYNEIM-UHFFFAOYSA-N
XLogP0.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide
CID 47064189
methyl 2-(3-propan-2-yloxyanilino)acetate
CID 19829935
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-(3-iodoanilino)acetate
CID 19829858
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate?
The IUPAC name of methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate (CID 52704348) is methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate.
What is the SMILES notation for methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate?
The canonical SMILES for methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate is COC(=O)CNc1cccc(OCC(=O)N(C)C)c1.
What is the InChIKey of methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate?
The InChIKey is XWUPMJITMYNEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(2)12(16)9-19-11-6-4-5-10(7-11)14-8-13(17)18-3/h4-7,14H,8-9H2,1-3H3.
What are the key properties of methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate?
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate has a molecular weight of 266.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate is sourced from PubChem (CID 52704348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).