N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide

C16H24F2N2O2 — CID 119816063

IUPACN-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C16H24F2N2O2/c1-16(2,3)15(12-6-5-11(17)9-13(12)18)20-14(21)10-19-7-8-22-4/h5-6,9,15,19H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyDQPRMPDQKZUQCW-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.40
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide

N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119816063) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119816063
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC NameN-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C16H24F2N2O2/c1-16(2,3)15(12-6-5-11(17)9-13(12)18)20-14(21)10-19-7-8-22-4/h5-6,9,15,19H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyDQPRMPDQKZUQCW-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide
CID 97070029
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
CID 119816056
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742775
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
1-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]carbamoyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 167784871
N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide
CID 119816053
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119771193
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide (CID 119816063) is N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NC(c1ccc(F)cc1F)C(C)(C)C.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is DQPRMPDQKZUQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-16(2,3)15(12-6-5-11(17)9-13(12)18)20-14(21)10-19-7-8-22-4/h5-6,9,15,19H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide?
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119816063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).