(2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide

C17H23F2NO4 — CID 97083128

IUPAC(2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCO[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyDXMSOXYOQJUJPS-LBPRGKRZSA-N
MW343.37 g/mol
LogP2.14
Rot. Bonds7

About (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide

(2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide (PubChem CID 97083128) has the molecular formula C17H23F2NO4 and a molecular weight of 343.37 g/mol. Its IUPAC name is (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
PubChem CID97083128
Molecular FormulaC17H23F2NO4
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC Name(2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCO[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyDXMSOXYOQJUJPS-LBPRGKRZSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The IUPAC name of (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide (CID 97083128) is (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The canonical SMILES for (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide is COCCO[C@@H](C)C(=O)NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
The InChIKey is DXMSOXYOQJUJPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23F2NO4/c1-12(24-10-9-22-2)16(21)20-17(5-7-23-8-6-17)14-4-3-13(18)11-15(14)19/h3-4,11-12H,5-10H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide?
(2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide has a molecular weight of 343.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 97083128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).