5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C18H27NO5 — CID 120822495

IUPAC5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCOC1CC(NC(=O)c2cc(C(=O)O)c(CC)o2)C1(CC)CC
InChIInChI=1S/C18H27NO5/c1-5-12-11(17(21)22)9-13(24-12)16(20)19-14-10-15(23-8-4)18(14,6-2)7-3/h9,14-15H,5-8,10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyZQCUADDDJYRGBH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds8

About 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822495) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822495
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCOC1CC(NC(=O)c2cc(C(=O)O)c(CC)o2)C1(CC)CC
InChIInChI=1S/C18H27NO5/c1-5-12-11(17(21)22)9-13(24-12)16(20)19-14-10-15(23-8-4)18(14,6-2)7-3/h9,14-15H,5-8,10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyZQCUADDDJYRGBH-UHFFFAOYSA-N
XLogP3.25
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-adamantylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822201
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689155
2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 120822376
2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid
CID 120822597
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
5-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821087
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673960
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822565
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
CID 113239526

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822495) is 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCOC1CC(NC(=O)c2cc(C(=O)O)c(CC)o2)C1(CC)CC.
What is the InChIKey of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is ZQCUADDDJYRGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-5-12-11(17(21)22)9-13(24-12)16(20)19-14-10-15(23-8-4)18(14,6-2)7-3/h9,14-15H,5-8,10H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).