2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide

C16H24FN3O2 — CID 2539057

IUPAC2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(F)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24FN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-7-6-12(4)14(17)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyXIQVKKKEEYSRKM-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.92
Rot. Bonds7

About 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 2539057) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID2539057
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(F)c1)CC(=O)NC(C)C
InChIInChI=1S/C16H24FN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-7-6-12(4)14(17)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyXIQVKKKEEYSRKM-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 2539057) is 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide is CCN(CC(=O)Nc1ccc(C)c(F)c1)CC(=O)NC(C)C.
What is the InChIKey of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is XIQVKKKEEYSRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-5-20(9-15(21)18-11(2)3)10-16(22)19-13-7-6-12(4)14(17)8-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 2539057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).