ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate

C25H21NO4 — CID 4642144

IUPACethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21NO4/c1-2-29-25(28)23-22(19-15-9-10-16-20(19)30-23)26-24(27)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H,26,27)
InChIKeyDFNMWQKBWYTPRV-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.38
Rot. Bonds6

About ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate

ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 4642144) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
PubChem CID4642144
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Nameethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21NO4/c1-2-29-25(28)23-22(19-15-9-10-16-20(19)30-23)26-24(27)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H,26,27)
InChIKeyDFNMWQKBWYTPRV-UHFFFAOYSA-N
XLogP5.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate
CID 4250174
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
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 4569687
3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814504
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 568026
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate (CID 4642144) is ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is DFNMWQKBWYTPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-2-29-25(28)23-22(19-15-9-10-16-20(19)30-23)26-24(27)21(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3,(H,26,27).
What are the key properties of ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate?
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 4642144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).