4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide

C16H24FN3O2 — CID 72849600

IUPAC4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNC(=O)C(c1cccc(F)c1)N(C)C
InChIInChI=1S/C16H24FN3O2/c1-19(2)14(21)9-6-10-18-16(22)15(20(3)4)12-7-5-8-13(17)11-12/h5,7-8,11,15H,6,9-10H2,1-4H3,(H,18,22)
InChIKeyJYIBUMRVWCUADQ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.41
Rot. Bonds7

About 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide

4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide (PubChem CID 72849600) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
PubChem CID72849600
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNC(=O)C(c1cccc(F)c1)N(C)C
InChIInChI=1S/C16H24FN3O2/c1-19(2)14(21)9-6-10-18-16(22)15(20(3)4)12-7-5-8-13(17)11-12/h5,7-8,11,15H,6,9-10H2,1-4H3,(H,18,22)
InChIKeyJYIBUMRVWCUADQ-UHFFFAOYSA-N
XLogP1.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
CID 97187528
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
(2R)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 97201809
2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 72875005
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97199895
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97200430
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136916523
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide (CID 72849600) is 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCNC(=O)C(c1cccc(F)c1)N(C)C.
What is the InChIKey of 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide?
The InChIKey is JYIBUMRVWCUADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-19(2)14(21)9-6-10-18-16(22)15(20(3)4)12-7-5-8-13(17)11-12/h5,7-8,11,15H,6,9-10H2,1-4H3,(H,18,22).
What are the key properties of 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide?
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide has a molecular weight of 309.38 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 72849600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).