2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid

C14H15NO5 — CID 120820691

IUPAC2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)Cc2ccco2)cc1C(=O)O
InChIInChI=1S/C14H15NO5/c1-3-11-10(14(17)18)7-12(20-11)13(16)15(2)8-9-5-4-6-19-9/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyWAKKDNCUBRACQU-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.41
Rot. Bonds5

About 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120820691) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid
PubChem CID120820691
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)Cc2ccco2)cc1C(=O)O
InChIInChI=1S/C14H15NO5/c1-3-11-10(14(17)18)7-12(20-11)13(16)15(2)8-9-5-4-6-19-9/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyWAKKDNCUBRACQU-UHFFFAOYSA-N
XLogP2.41
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820663
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
CID 112750794
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18111834

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid (CID 120820691) is 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)N(C)Cc2ccco2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is WAKKDNCUBRACQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-3-11-10(14(17)18)7-12(20-11)13(16)15(2)8-9-5-4-6-19-9/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120820691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).