(2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide

C15H20FNO3 — CID 97338191

IUPAC(2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide
SMILESCO[C@@H](C)C(=O)N(c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C15H20FNO3/c1-11(19-2)15(18)17(13-6-8-20-9-7-13)14-5-3-4-12(16)10-14/h3-5,10-11,13H,6-9H2,1-2H3/t11-/m0/s1
InChIKeyKLQNROAWOSHEEG-NSHDSACASA-N
MW281.33 g/mol
LogP2.37
Rot. Bonds4

About (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide

(2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide (PubChem CID 97338191) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide
PubChem CID97338191
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide
SMILESCO[C@@H](C)C(=O)N(c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C15H20FNO3/c1-11(19-2)15(18)17(13-6-8-20-9-7-13)14-5-3-4-12(16)10-14/h3-5,10-11,13H,6-9H2,1-2H3/t11-/m0/s1
InChIKeyKLQNROAWOSHEEG-NSHDSACASA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide (CID 97338191) is (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide is CO[C@@H](C)C(=O)N(c1cccc(F)c1)C1CCOCC1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide?
The InChIKey is KLQNROAWOSHEEG-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11(19-2)15(18)17(13-6-8-20-9-7-13)14-5-3-4-12(16)10-14/h3-5,10-11,13H,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide?
(2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide has a molecular weight of 281.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-methoxy-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 97338191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).