ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate

C16H23NO5 — CID 54785153

IUPACethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
SMILESCCOCCOc1ccccc1C(=O)N(C)CC(=O)OCC
InChIInChI=1S/C16H23NO5/c1-4-20-10-11-22-14-9-7-6-8-13(14)16(19)17(3)12-15(18)21-5-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyXASSZOAYYSUIAI-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.74
Rot. Bonds9

About ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate

ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate (PubChem CID 54785153) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
PubChem CID54785153
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nameethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
SMILESCCOCCOc1ccccc1C(=O)N(C)CC(=O)OCC
InChIInChI=1S/C16H23NO5/c1-4-20-10-11-22-14-9-7-6-8-13(14)16(19)17(3)12-15(18)21-5-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyXASSZOAYYSUIAI-UHFFFAOYSA-N
XLogP1.74
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
3-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227986
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid
CID 119358857
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
pentyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 91715427
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate (CID 54785153) is ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate is CCOCCOc1ccccc1C(=O)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate?
The InChIKey is XASSZOAYYSUIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-20-10-11-22-14-9-7-6-8-13(14)16(19)17(3)12-15(18)21-5-2/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate?
ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate has a molecular weight of 309.36 g/mol, XLogP of 1.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate is sourced from PubChem (CID 54785153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).