ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate

C18H21NO6 — CID 13206091

IUPACethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate
SMILESCCOC(=O)c1cocc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21NO6/c1-4-25-18(21)14-11-24-10-13(14)17(20)19-8-7-12-5-6-15(22-2)16(9-12)23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyJSYSRSOZQBSXIW-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.45
Rot. Bonds8

About ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate

ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate (PubChem CID 13206091) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate
PubChem CID13206091
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Nameethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate
SMILESCCOC(=O)c1cocc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21NO6/c1-4-25-18(21)14-11-24-10-13(14)17(20)19-8-7-12-5-6-15(22-2)16(9-12)23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyJSYSRSOZQBSXIW-UHFFFAOYSA-N
XLogP2.45
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoate
CID 13352291
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691269
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4-trimethylbenzamide
CID 4730559
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
ethyl 4-bromo-1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-5-methylpyrazole-3-carboxylate
CID 46082575
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide
CID 100641388

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate?
The IUPAC name of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate (CID 13206091) is ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate is CCOC(=O)c1cocc1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate?
The InChIKey is JSYSRSOZQBSXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-4-25-18(21)14-11-24-10-13(14)17(20)19-8-7-12-5-6-15(22-2)16(9-12)23-3/h5-6,9-11H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate?
ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-3-carboxylate is sourced from PubChem (CID 13206091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).