N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide

C15H21FN2O3 — CID 119626874

IUPACN-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC(C)(C)N)cc1F
InChIInChI=1S/C15H21FN2O3/c1-15(2,17)9-18-14(20)7-5-12(19)10-4-6-13(21-3)11(16)8-10/h4,6,8H,5,7,9,17H2,1-3H3,(H,18,20)
InChIKeyHMNZCRGKDCNPMG-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.65
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide

N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide (PubChem CID 119626874) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
PubChem CID119626874
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC(C)(C)N)cc1F
InChIInChI=1S/C15H21FN2O3/c1-15(2,17)9-18-14(20)7-5-12(19)10-4-6-13(21-3)11(16)8-10/h4,6,8H,5,7,9,17H2,1-3H3,(H,18,20)
InChIKeyHMNZCRGKDCNPMG-UHFFFAOYSA-N
XLogP1.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 119352903
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-2-methylbutanoic acid
CID 120686277
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119629074
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
N-[11-(3-fluoro-4-methoxyphenyl)-11-oxoundecyl]acetamide
CID 18434110
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
N-(2-aminoethyl)-2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120603923
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
CID 116555583
4-amino-1-(3-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116916448

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide (CID 119626874) is N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NCC(C)(C)N)cc1F.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is HMNZCRGKDCNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-15(2,17)9-18-14(20)7-5-12(19)10-4-6-13(21-3)11(16)8-10/h4,6,8H,5,7,9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide?
N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 296.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 119626874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).