ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate

C29H23NO7 — CID 19606364

IUPACethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4oc(COCc5ccccc5)cc4c3)c2o1
InChIInChI=1S/C29H23NO7/c1-2-35-29(33)26-15-24(31)22-9-6-10-23(27(22)37-26)30-28(32)19-11-12-25-20(13-19)14-21(36-25)17-34-16-18-7-4-3-5-8-18/h3-15H,2,16-17H2,1H3,(H,30,32)
InChIKeySIFFTRYSDNJREM-UHFFFAOYSA-N
MW497.50 g/mol
LogP5.68
Rot. Bonds8

About ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate

ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate (PubChem CID 19606364) has the molecular formula C29H23NO7 and a molecular weight of 497.50 g/mol. Its IUPAC name is ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
PubChem CID19606364
Molecular FormulaC29H23NO7
Molecular Weight497.50 g/mol
Exact Mass497.15
IUPAC Nameethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4oc(COCc5ccccc5)cc4c3)c2o1
InChIInChI=1S/C29H23NO7/c1-2-35-29(33)26-15-24(31)22-9-6-10-23(27(22)37-26)30-28(32)19-11-12-25-20(13-19)14-21(36-25)17-34-16-18-7-4-3-5-8-18/h3-15H,2,16-17H2,1H3,(H,30,32)
InChIKeySIFFTRYSDNJREM-UHFFFAOYSA-N
XLogP5.68
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606289
ethyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926727
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946
pentyl 8-[(4-octoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926778
butyl 8-[(4-heptoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926806
butyl 8-[(4-heptylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926756
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
2-methylpropyl 8-[(4-hexylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926808
ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate
CID 57238247
ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate
CID 139832919
methyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926774

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
The IUPAC name of ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate (CID 19606364) is ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4oc(COCc5ccccc5)cc4c3)c2o1.
What is the InChIKey of ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
The InChIKey is SIFFTRYSDNJREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO7/c1-2-35-29(33)26-15-24(31)22-9-6-10-23(27(22)37-26)30-28(32)19-11-12-25-20(13-19)14-21(36-25)17-34-16-18-7-4-3-5-8-18/h3-15H,2,16-17H2,1H3,(H,30,32).
What are the key properties of ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate has a molecular weight of 497.50 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate is sourced from PubChem (CID 19606364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).