ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate

C21H19NO5 — CID 13473060

IUPACethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1C(=O)OCC
InChIInChI=1S/C21H19NO5/c1-3-11-26-18-10-9-15(13-16(18)21(24)25-4-2)22-20(23)19-12-14-7-5-6-8-17(14)27-19/h3,5-10,12-13H,1,4,11H2,2H3,(H,22,23)
InChIKeyHXQBSAYYHNUUMI-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.43
Rot. Bonds7

About ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate

ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate (PubChem CID 13473060) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate.

Molecular Properties

Compound Nameethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate
PubChem CID13473060
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Nameethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1C(=O)OCC
InChIInChI=1S/C21H19NO5/c1-3-11-26-18-10-9-15(13-16(18)21(24)25-4-2)22-20(23)19-12-14-7-5-6-8-17(14)27-19/h3,5-10,12-13H,1,4,11H2,2H3,(H,22,23)
InChIKeyHXQBSAYYHNUUMI-UHFFFAOYSA-N
XLogP4.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
CID 8718221
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571464
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293
N-(4-methoxy-3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 26929619
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
ethyl 5-benzamido-2-(oxiran-2-ylmethoxy)benzoate
CID 13340119
N-[4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-1-benzofuran-2-carboxamide
CID 135633703
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate?
The IUPAC name of ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate (CID 13473060) is ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate.
What is the SMILES notation for ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate?
The canonical SMILES for ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate is C=CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate?
The InChIKey is HXQBSAYYHNUUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-3-11-26-18-10-9-15(13-16(18)21(24)25-4-2)22-20(23)19-12-14-7-5-6-8-17(14)27-19/h3,5-10,12-13H,1,4,11H2,2H3,(H,22,23).
What are the key properties of ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate?
ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate has a molecular weight of 365.39 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate is sourced from PubChem (CID 13473060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).