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

C30H27NO6 — CID 57238247

IUPACethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NC(=O)C3(CCCc4ccccc4)Cc4ccccc4O3)c2o1
InChIInChI=1S/C30H27NO6/c1-2-35-28(33)26-18-24(32)22-14-8-15-23(27(22)36-26)31-29(34)30(17-9-12-20-10-4-3-5-11-20)19-21-13-6-7-16-25(21)37-30/h3-8,10-11,13-16,18H,2,9,12,17,19H2,1H3,(H,31,34)
InChIKeyKCLZWTMFGDOUQA-UHFFFAOYSA-N
MW497.55 g/mol
LogP5.30
Rot. Bonds8

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

ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate (PubChem CID 57238247) 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)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate
PubChem CID57238247
Molecular FormulaC30H27NO6
Molecular Weight497.55 g/mol
Exact Mass497.18
IUPAC Nameethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cccc(NC(=O)C3(CCCc4ccccc4)Cc4ccccc4O3)c2o1
InChIInChI=1S/C30H27NO6/c1-2-35-28(33)26-18-24(32)22-14-8-15-23(27(22)36-26)31-29(34)30(17-9-12-20-10-4-3-5-11-20)19-21-13-6-7-16-25(21)37-30/h3-8,10-11,13-16,18H,2,9,12,17,19H2,1H3,(H,31,34)
InChIKeyKCLZWTMFGDOUQA-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylate
CID 19606289
butyl 8-[(4-heptylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926756
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 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926727
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
ethyl 4-oxo-8-[[4-(4-phenylbutoxy)phenyl]methylperoxy]chromene-2-carboxylate
CID 142642799
ethyl 8-[(4-hydroxyphenyl)sulfonylamino]-4-oxochromene-2-carboxylate
CID 139832919
tert-butyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 139926708
ethyl 4-oxo-6-[[4-(3-phenylpropoxy)benzoyl]amino]chromene-2-carboxylate
CID 22924435
N-(2-carbamohydrazonoyl-4-oxochromen-8-yl)-9-phenylnonanamide
CID 67754538
8-(diethoxyphosphorylamino)-4-oxochromene-2-carboxylic acid
CID 10246671

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate?
The IUPAC name of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate (CID 57238247) is ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cccc(NC(=O)C3(CCCc4ccccc4)Cc4ccccc4O3)c2o1.
What is the InChIKey of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate?
The InChIKey is KCLZWTMFGDOUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO6/c1-2-35-28(33)26-18-24(32)22-14-8-15-23(27(22)36-26)31-29(34)30(17-9-12-20-10-4-3-5-11-20)19-21-13-6-7-16-25(21)37-30/h3-8,10-11,13-16,18H,2,9,12,17,19H2,1H3,(H,31,34).
What are the key properties of ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate?
ethyl 4-oxo-8-[[2-(3-phenylpropyl)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate has a molecular weight of 497.55 g/mol, XLogP of 5.30, 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)-3H-1-benzofuran-2-carbonyl]amino]chromene-2-carboxylate is sourced from PubChem (CID 57238247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).