ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate

C18H17NO6 — CID 17310220

IUPACethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17NO6/c1-2-22-18(21)13-5-3-4-6-14(13)19-17(20)10-23-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyNMXHJOHGURPZHO-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate

ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate (PubChem CID 17310220) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
PubChem CID17310220
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Nameethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17NO6/c1-2-22-18(21)13-5-3-4-6-14(13)19-17(20)10-23-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyNMXHJOHGURPZHO-UHFFFAOYSA-N
XLogP2.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzamide
CID 6493270
2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17310325
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
2-(1,3-benzodioxol-5-yloxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 7894440
2-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7894417
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7373054
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
ethyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopentanoyl]amino]benzoate
CID 110344635
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 4019962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate (CID 17310220) is ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate?
The InChIKey is NMXHJOHGURPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-2-22-18(21)13-5-3-4-6-14(13)19-17(20)10-23-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate?
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate has a molecular weight of 343.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate is sourced from PubChem (CID 17310220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).