N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide

C16H23FN2O3 — CID 171359712

IUPACN-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide
SMILESCCN(C(=O)CN(C)Cc1ccccc1F)C1COCC1O
InChIInChI=1S/C16H23FN2O3/c1-3-19(14-10-22-11-15(14)20)16(21)9-18(2)8-12-6-4-5-7-13(12)17/h4-7,14-15,20H,3,8-11H2,1-2H3
InChIKeyKYTUEFXPPPRYKX-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.87
Rot. Bonds6

About N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide

N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide (PubChem CID 171359712) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide
PubChem CID171359712
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide
SMILESCCN(C(=O)CN(C)Cc1ccccc1F)C1COCC1O
InChIInChI=1S/C16H23FN2O3/c1-3-19(14-10-22-11-15(14)20)16(21)9-18(2)8-12-6-4-5-7-13(12)17/h4-7,14-15,20H,3,8-11H2,1-2H3
InChIKeyKYTUEFXPPPRYKX-UHFFFAOYSA-N
XLogP0.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide (CID 171359712) is N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide is CCN(C(=O)CN(C)Cc1ccccc1F)C1COCC1O.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide?
The InChIKey is KYTUEFXPPPRYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-3-19(14-10-22-11-15(14)20)16(21)9-18(2)8-12-6-4-5-7-13(12)17/h4-7,14-15,20H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide?
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide is sourced from PubChem (CID 171359712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).