ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate

C30H27NO6 — CID 19606289

IUPACethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4c(c3)CC(CCCc3ccccc3)O4)c2o1
InChIInChI=1S/C30H27NO6/c1-2-35-30(34)27-18-25(32)23-12-7-13-24(28(23)37-27)31-29(33)20-14-15-26-21(16-20)17-22(36-26)11-6-10-19-8-4-3-5-9-19/h3-5,7-9,12-16,18,22H,2,6,10-11,17H2,1H3,(H,31,33)
InChIKeyQUKPNQKAGZEMDU-UHFFFAOYSA-N
MW497.55 g/mol
LogP5.55
Rot. Bonds8

About ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate

ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate (PubChem CID 19606289) has the molecular formula C30H27NO6 and a molecular weight of 497.55 g/mol. Its IUPAC name is ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
PubChem CID19606289
Molecular FormulaC30H27NO6
Molecular Weight497.55 g/mol
Exact Mass497.18
IUPAC Nameethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4c(c3)CC(CCCc3ccccc3)O4)c2o1
InChIInChI=1S/C30H27NO6/c1-2-35-30(34)27-18-25(32)23-12-7-13-24(28(23)37-27)31-29(33)20-14-15-26-21(16-20)17-22(36-26)11-6-10-19-8-4-3-5-9-19/h3-5,7-9,12-16,18,22H,2,6,10-11,17H2,1H3,(H,31,33)
InChIKeyQUKPNQKAGZEMDU-UHFFFAOYSA-N
XLogP5.55
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.55
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate with MolForge

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Related Compounds

8-[[6-chloro-2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]-4-oxochromene-2-carboxylic acid
CID 19606287
ethyl 4-oxo-8-[[2-(phenylmethoxymethyl)-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606364
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
N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-2-(phenylmethoxymethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 19606263
butyl 8-[(4-heptylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926756
ethyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926727
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
tert-butyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 139926708
pentyl 8-[(4-octoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926778
butyl 8-[(4-heptoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926806
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
The IUPAC name of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate (CID 19606289) is ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4c(c3)CC(CCCc3ccccc3)O4)c2o1.
What is the InChIKey of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
The InChIKey is QUKPNQKAGZEMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO6/c1-2-35-30(34)27-18-25(32)23-12-7-13-24(28(23)37-27)31-29(33)20-14-15-26-21(16-20)17-22(36-26)11-6-10-19-8-4-3-5-9-19/h3-5,7-9,12-16,18,22H,2,6,10-11,17H2,1H3,(H,31,33).
What are the key properties of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate?
ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate has a molecular weight of 497.55 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate is sourced from PubChem (CID 19606289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).