ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate

C18H19NO4 — CID 71976289

IUPACethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)o1
InChIInChI=1S/C18H19NO4/c1-2-22-16(20)15-9-8-14(23-15)12-19-17(21)18(10-11-18)13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,19,21)
InChIKeyKGNHXOCXCFDOSK-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.80
Rot. Bonds6

About ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate

ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate (PubChem CID 71976289) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
PubChem CID71976289
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)o1
InChIInChI=1S/C18H19NO4/c1-2-22-16(20)15-9-8-14(23-15)12-19-17(21)18(10-11-18)13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,19,21)
InChIKeyKGNHXOCXCFDOSK-UHFFFAOYSA-N
XLogP2.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652511
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]furan-2-carboxylate;hydroiodide
CID 111859518
ethyl 5-[[(3-benzyl-1,2-oxazole-5-carbonyl)amino]methyl]furan-2-carboxylate
CID 42169756
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 106124685
ethyl 5-[[chloro(triphenyl)-λ5-phosphanyl]methyl]furan-2-carboxylate
CID 139792622
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate (CID 71976289) is ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)o1.
What is the InChIKey of ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate?
The InChIKey is KGNHXOCXCFDOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-22-16(20)15-9-8-14(23-15)12-19-17(21)18(10-11-18)13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,19,21).
What are the key properties of ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate?
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 71976289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).