3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide

C13H17FN2O2 — CID 64891799

IUPAC3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide
SMILESCCN(C(=O)C1(N)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c1-2-16(11-5-3-10(14)4-6-11)12(17)13(15)7-8-18-9-13/h3-6H,2,7-9,15H2,1H3
InChIKeyMUBOTMGTUPRQDI-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide

3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide (PubChem CID 64891799) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide
PubChem CID64891799
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide
SMILESCCN(C(=O)C1(N)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O2/c1-2-16(11-5-3-10(14)4-6-11)12(17)13(15)7-8-18-9-13/h3-6H,2,7-9,15H2,1H3
InChIKeyMUBOTMGTUPRQDI-UHFFFAOYSA-N
XLogP1.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid
CID 64891774
3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
CID 64891208
3-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 64891551
3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
CID 64892421
3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide
CID 64891096
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
CID 64892703
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 115294203
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide
CID 64893161
3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
CID 104551711
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 64890963
3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893700

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide (CID 64891799) is 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide is CCN(C(=O)C1(N)CCOC1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide?
The InChIKey is MUBOTMGTUPRQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-16(11-5-3-10(14)4-6-11)12(17)13(15)7-8-18-9-13/h3-6H,2,7-9,15H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide?
3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 64891799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).