N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide

C16H23FN2O2 — CID 110303265

IUPACN-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCN(C)C(C)(C)CNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,19(3)4)11-18-15(21)10-9-14(20)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyAQWPMRMPTCNBPP-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 110303265) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID110303265
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCN(C)C(C)(C)CNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,19(3)4)11-18-15(21)10-9-14(20)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyAQWPMRMPTCNBPP-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
CID 9163716
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 63591600
4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
CID 110615202
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 110303265) is N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide is CN(C)C(C)(C)CNC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is AQWPMRMPTCNBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,19(3)4)11-18-15(21)10-9-14(20)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 294.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110303265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).