3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

C16H24FN3O2 — CID 119726485

IUPAC3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(C)(C)CN
InChIInChI=1S/C16H24FN3O2/c1-4-20(15(22)16(2,3)11-18)10-14(21)19-9-12-5-7-13(17)8-6-12/h5-8H,4,9-11,18H2,1-3H3,(H,19,21)
InChIKeyUOBANIFHLVNWFC-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.28
Rot. Bonds7

About 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide

3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 119726485) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID119726485
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(C)(C)CN
InChIInChI=1S/C16H24FN3O2/c1-4-20(15(22)16(2,3)11-18)10-14(21)19-9-12-5-7-13(17)8-6-12/h5-8H,4,9-11,18H2,1-3H3,(H,19,21)
InChIKeyUOBANIFHLVNWFC-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
2-(4-chlorophenoxy)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylpropanamide
CID 8960675
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pentanamide;hydrochloride
CID 119266596
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 119291047
2-(2-aminoethyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617230
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 119726485) is 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is UOBANIFHLVNWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-4-20(15(22)16(2,3)11-18)10-14(21)19-9-12-5-7-13(17)8-6-12/h5-8H,4,9-11,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide?
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 309.38 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119726485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).