ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate

C22H23NO5 — CID 16814955

IUPACethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCCCOc1ccc(C(=O)Nc2c(C(=O)OCC)oc3ccccc23)cc1
InChIInChI=1S/C22H23NO5/c1-3-5-14-27-16-12-10-15(11-13-16)21(24)23-19-17-8-6-7-9-18(17)28-20(19)22(25)26-4-2/h6-13H,3-5,14H2,1-2H3,(H,23,24)
InChIKeyHZDFKVRSOUQYLE-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.04
Rot. Bonds8

About ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate

ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 16814955) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
PubChem CID16814955
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Nameethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCCCOc1ccc(C(=O)Nc2c(C(=O)OCC)oc3ccccc23)cc1
InChIInChI=1S/C22H23NO5/c1-3-5-14-27-16-12-10-15(11-13-16)21(24)23-19-17-8-6-7-9-18(17)28-20(19)22(25)26-4-2/h6-13H,3-5,14H2,1-2H3,(H,23,24)
InChIKeyHZDFKVRSOUQYLE-UHFFFAOYSA-N
XLogP5.04
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
ethyl 3-[(4-methylbenzoyl)amino]furo[2,3-b]pyridine-2-carboxylate
CID 21354016
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144
butyl 3-methyl-1-benzofuran-2-carboxylate
CID 78915206
ethyl 3-[[4-[furan-2-ylmethyl(methyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 43947524

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate (CID 16814955) is ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate is CCCCOc1ccc(C(=O)Nc2c(C(=O)OCC)oc3ccccc23)cc1.
What is the InChIKey of ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is HZDFKVRSOUQYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-5-14-27-16-12-10-15(11-13-16)21(24)23-19-17-8-6-7-9-18(17)28-20(19)22(25)26-4-2/h6-13H,3-5,14H2,1-2H3,(H,23,24).
What are the key properties of ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate?
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 16814955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).