ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate

C19H25N3O5 — CID 1283491

IUPACethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(OC)cc2c1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C19H25N3O5/c1-4-26-19(24)18-17(14-11-13(25-3)5-6-15(14)27-18)20-16(23)12-22-9-7-21(2)8-10-22/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyRVEMAGQNWJTLIN-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.80
Rot. Bonds6

About ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate

ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate (PubChem CID 1283491) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
PubChem CID1283491
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Nameethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccc(OC)cc2c1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C19H25N3O5/c1-4-26-19(24)18-17(14-11-13(25-3)5-6-15(14)27-18)20-16(23)12-22-9-7-21(2)8-10-22/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)
InChIKeyRVEMAGQNWJTLIN-UHFFFAOYSA-N
XLogP1.80
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 1281686
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 568026
ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
CID 2917341
ethyl 5-bromo-3-(3-piperidin-1-ylpropanoylamino)-1-benzofuran-2-carboxylate
CID 566805
N-[5-chloro-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 574776
N-(2,6-dimethylphenyl)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55789606
ethyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate
CID 3814896
ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
CID 90484357
ethyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate
CID 757717
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
ethyl 1-[2-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 4019132
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55305040

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate (CID 1283491) is ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccc(OC)cc2c1NC(=O)CN1CCN(C)CC1.
What is the InChIKey of ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate?
The InChIKey is RVEMAGQNWJTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-4-26-19(24)18-17(14-11-13(25-3)5-6-15(14)27-18)20-16(23)12-22-9-7-21(2)8-10-22/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23).
What are the key properties of ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate?
ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 1283491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).