5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid

C12H17NO6 — CID 113432257

IUPAC5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
SMILESCOCCN(CCOC)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO6/c1-17-5-3-13(4-6-18-2)11(14)10-7-9(8-19-10)12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyWQFIPDHQEAXEMM-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.71
Rot. Bonds8

About 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid

5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 113432257) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
PubChem CID113432257
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
SMILESCOCCN(CCOC)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO6/c1-17-5-3-13(4-6-18-2)11(14)10-7-9(8-19-10)12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyWQFIPDHQEAXEMM-UHFFFAOYSA-N
XLogP0.71
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 104607286
5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607291
5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607214
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071
5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 107201888
3-[butyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 120691896
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
4-[2-methoxyethyl(3-phenylpropyl)carbamoyl]pyridine-2-carboxylic acid
CID 119182829

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid (CID 113432257) is 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid is COCCN(CCOC)C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is WQFIPDHQEAXEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-17-5-3-13(4-6-18-2)11(14)10-7-9(8-19-10)12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid?
5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).