2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid

C16H20FNO4 — CID 167947971

IUPAC2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1OCCC1C(=O)O)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4/c1-3-18(10(2)11-4-6-12(17)7-5-11)15(19)14-13(16(20)21)8-9-22-14/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyGPSRGHPVDYWEHN-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.22
Rot. Bonds5

About 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid

2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid (PubChem CID 167947971) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid
PubChem CID167947971
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid
SMILESCCN(C(=O)C1OCCC1C(=O)O)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4/c1-3-18(10(2)11-4-6-12(17)7-5-11)15(19)14-13(16(20)21)8-9-22-14/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyGPSRGHPVDYWEHN-UHFFFAOYSA-N
XLogP2.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067743
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
CID 64563430
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 61029614
2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78892616
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid?
The IUPAC name of 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid (CID 167947971) is 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid?
The canonical SMILES for 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid is CCN(C(=O)C1OCCC1C(=O)O)C(C)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid?
The InChIKey is GPSRGHPVDYWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-3-18(10(2)11-4-6-12(17)7-5-11)15(19)14-13(16(20)21)8-9-22-14/h4-7,10,13-14H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid?
2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 167947971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).