ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate

C17H19NO5 — CID 78765345

IUPACethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C17H19NO5/c1-3-21-17(20)13-6-8-14(9-7-13)23-12-16(19)18(2)11-15-5-4-10-22-15/h4-10H,3,11-12H2,1-2H3
InChIKeyMPAZRLKLUBCNCX-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.49
Rot. Bonds7

About ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate

ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate (PubChem CID 78765345) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
PubChem CID78765345
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C17H19NO5/c1-3-21-17(20)13-6-8-14(9-7-13)23-12-16(19)18(2)11-15-5-4-10-22-15/h4-10H,3,11-12H2,1-2H3
InChIKeyMPAZRLKLUBCNCX-UHFFFAOYSA-N
XLogP2.49
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 30552687
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 46544743
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzoate
CID 42978945
2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43527060
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009251
2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide
CID 56782757
ethyl 4-[3-(furan-2-ylmethylamino)propoxy]benzoate;oxalic acid
CID 2923338
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate (CID 78765345) is ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate?
The InChIKey is MPAZRLKLUBCNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-21-17(20)13-6-8-14(9-7-13)23-12-16(19)18(2)11-15-5-4-10-22-15/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate?
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate has a molecular weight of 317.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 78765345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).