2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid

C14H19NO5 — CID 120822597

IUPAC2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CCOC(C)C2)cc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-3-11-10(14(17)18)7-12(20-11)13(16)15-9-4-5-19-8(2)6-9/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHKNYEFWGLYUXRG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.84
Rot. Bonds4

About 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120822597) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid
PubChem CID120822597
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CCOC(C)C2)cc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-3-11-10(14(17)18)7-12(20-11)13(16)15-9-4-5-19-8(2)6-9/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHKNYEFWGLYUXRG-UHFFFAOYSA-N
XLogP1.84
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821087
2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
CID 120820629
5-(2-adamantylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822201
2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 120822376
5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822593
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
3-[2-[(2-methyloxan-4-yl)amino]-2-oxoethyl]benzoic acid
CID 120550350
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822495
2-ethyl-5-[(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]furan-3-carboxylic acid
CID 120822748
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid (CID 120822597) is 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2CCOC(C)C2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is HKNYEFWGLYUXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-11-10(14(17)18)7-12(20-11)13(16)15-9-4-5-19-8(2)6-9/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).