N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

C15H21FN2O4 — CID 75536579

IUPACN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C15H21FN2O4/c1-21-9-14(19)18-7-13-15(20)12(8-22-13)17-6-10-2-4-11(16)5-3-10/h2-5,12-13,15,17,20H,6-9H2,1H3,(H,18,19)/t12-,13-,15+/m1/s1
InChIKeyFKSAHNBKWIYDDS-NFAWXSAZSA-N
MW312.34 g/mol
LogP-0.19
Rot. Bonds7

About N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75536579) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75536579
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C15H21FN2O4/c1-21-9-14(19)18-7-13-15(20)12(8-22-13)17-6-10-2-4-11(16)5-3-10/h2-5,12-13,15,17,20H,6-9H2,1H3,(H,18,19)/t12-,13-,15+/m1/s1
InChIKeyFKSAHNBKWIYDDS-NFAWXSAZSA-N
XLogP-0.19
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (CID 75536579) is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is FKSAHNBKWIYDDS-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-21-9-14(19)18-7-13-15(20)12(8-22-13)17-6-10-2-4-11(16)5-3-10/h2-5,12-13,15,17,20H,6-9H2,1H3,(H,18,19)/t12-,13-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 312.34 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75536579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).