N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide

C14H19FN2O4 — CID 95368946

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide
SMILESCOC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4/c1-14(20,9-21-2)8-17-13(19)12(18)16-7-10-3-5-11(15)6-4-10/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t14-/m0/s1
InChIKeyDSTDDURLVWEGLG-AWEZNQCLSA-N
MW298.31 g/mol
LogP-0.04
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide (PubChem CID 95368946) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide
PubChem CID95368946
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide
SMILESCOC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4/c1-14(20,9-21-2)8-17-13(19)12(18)16-7-10-3-5-11(15)6-4-10/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t14-/m0/s1
InChIKeyDSTDDURLVWEGLG-AWEZNQCLSA-N
XLogP-0.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide (CID 95368946) is N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide is COC[C@@](C)(O)CNC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide?
The InChIKey is DSTDDURLVWEGLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19FN2O4/c1-14(20,9-21-2)8-17-13(19)12(18)16-7-10-3-5-11(15)6-4-10/h3-6,20H,7-9H2,1-2H3,(H,16,18)(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide has a molecular weight of 298.31 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]oxamide is sourced from PubChem (CID 95368946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).