ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate

C21H19NO4 — CID 59654810

IUPACethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H19NO4/c1-2-25-21(24)17-10-8-15(9-11-17)14-22-20(23)19-13-12-18(26-19)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyJLZCWDZENVKZQT-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.05
Rot. Bonds6

About ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate

ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate (PubChem CID 59654810) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
PubChem CID59654810
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Nameethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H19NO4/c1-2-25-21(24)17-10-8-15(9-11-17)14-22-20(23)19-13-12-18(26-19)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyJLZCWDZENVKZQT-UHFFFAOYSA-N
XLogP4.05
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
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CID 3131522
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ethyl 4-[5-[(2-phenylbenzotriazol-5-yl)carbamoyl]furan-2-yl]benzoate
CID 1491630
ethyl 4-[[5-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
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ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
5-(3-hydroxyphenyl)-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142532375
ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
ethyl 4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoate
CID 108813178
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
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ethyl 4-[[(2-methylphenyl)carbamoylamino]methyl]benzoate
CID 108894223

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate?
The IUPAC name of ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate (CID 59654810) is ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)o2)cc1.
What is the InChIKey of ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate?
The InChIKey is JLZCWDZENVKZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-2-25-21(24)17-10-8-15(9-11-17)14-22-20(23)19-13-12-18(26-19)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,22,23).
What are the key properties of ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate?
ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate has a molecular weight of 349.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 59654810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).