2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide

C16H26FN3O — CID 79646551

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(C)(C)CN)c1ccc(F)cc1
InChIInChI=1S/C16H26FN3O/c1-5-20(14-8-6-13(17)7-9-14)15(21)10-19(4)12-16(2,3)11-18/h6-9H,5,10-12,18H2,1-4H3
InChIKeyFPVFNLAXLZIBIC-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.10
Rot. Bonds7

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 79646551) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID79646551
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN(C)CC(C)(C)CN)c1ccc(F)cc1
InChIInChI=1S/C16H26FN3O/c1-5-20(14-8-6-13(17)7-9-14)15(21)10-19(4)12-16(2,3)11-18/h6-9H,5,10-12,18H2,1-4H3
InChIKeyFPVFNLAXLZIBIC-UHFFFAOYSA-N
XLogP2.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide (CID 79646551) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)CN(C)CC(C)(C)CN)c1ccc(F)cc1.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is FPVFNLAXLZIBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-5-20(14-8-6-13(17)7-9-14)15(21)10-19(4)12-16(2,3)11-18/h6-9H,5,10-12,18H2,1-4H3.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 295.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 79646551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).