methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate

C15H15NO5 — CID 79085923

IUPACmethyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C15H15NO5/c1-9(12-7-8-13(21-12)15(18)19-2)20-11-5-3-10(4-6-11)14(16)17/h3-9H,1-2H3,(H2,16,17)
InChIKeyABECFOUOEZTENS-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.31
Rot. Bonds5

About methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate

methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate (PubChem CID 79085923) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
PubChem CID79085923
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Oc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C15H15NO5/c1-9(12-7-8-13(21-12)15(18)19-2)20-11-5-3-10(4-6-11)14(16)17/h3-9H,1-2H3,(H2,16,17)
InChIKeyABECFOUOEZTENS-UHFFFAOYSA-N
XLogP2.31
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 79084598
methyl 5-[1-(3-bromo-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 83231703
methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
CID 79086049
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
CID 82003998
methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
CID 106446592
methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate
CID 79084765
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
methyl 5-[1-(2-nitrophenoxy)ethyl]furan-2-carboxylate
CID 79085289
5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 22680826

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate (CID 79085923) is methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Oc2ccc(C(N)=O)cc2)o1.
What is the InChIKey of methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate?
The InChIKey is ABECFOUOEZTENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9(12-7-8-13(21-12)15(18)19-2)20-11-5-3-10(4-6-11)14(16)17/h3-9H,1-2H3,(H2,16,17).
What are the key properties of methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 79085923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).