2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate

C17H21NO5 — CID 86937869

IUPAC2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)N(C)CCOC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C17H21NO5/c1-4-21-17(20)18(3)7-8-22-16(19)10-13-11-23-15-9-12(2)5-6-14(13)15/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeySRZHNWUUDUSAGH-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.92
Rot. Bonds6

About 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate

2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 86937869) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID86937869
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)N(C)CCOC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C17H21NO5/c1-4-21-17(20)18(3)7-8-22-16(19)10-13-11-23-15-9-12(2)5-6-14(13)15/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeySRZHNWUUDUSAGH-UHFFFAOYSA-N
XLogP2.92
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butoxyethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86888711
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid
CID 43092357
3-(6-methyl-2-pyridinyl)propyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86911953
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
(6-bromo-1,3-benzodioxol-5-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7480699
2-[ethoxycarbonyl(methyl)amino]ethyl 2,5-dimethylbenzoate
CID 86937874
methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
[1-oxo-1-(propylamino)propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 46622127
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26980149

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 86937869) is 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate is CCOC(=O)N(C)CCOC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is SRZHNWUUDUSAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-4-21-17(20)18(3)7-8-22-16(19)10-13-11-23-15-9-12(2)5-6-14(13)15/h5-6,9,11H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate?
2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 319.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 86937869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).