N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide

C17H24F2N2O2 — CID 119598529

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O2/c1-11(2)9-17(3,10-20)21-16(23)7-6-15(22)12-4-5-13(18)14(19)8-12/h4-5,8,11H,6-7,9-10,20H2,1-3H3,(H,21,23)
InChIKeyIRGUJIJONSVAJF-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.81
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide (PubChem CID 119598529) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
PubChem CID119598529
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2N2O2/c1-11(2)9-17(3,10-20)21-16(23)7-6-15(22)12-4-5-13(18)14(19)8-12/h4-5,8,11H,6-7,9-10,20H2,1-3H3,(H,21,23)
InChIKeyIRGUJIJONSVAJF-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 119573652
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-butan-2-yl-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 112511074
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
(2R)-2-[[4-(3,4-difluorophenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 119364252
N-[3-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119599730
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
CID 119598512
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide (CID 119598529) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide is CC(C)CC(C)(CN)NC(=O)CCC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
The InChIKey is IRGUJIJONSVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-11(2)9-17(3,10-20)21-16(23)7-6-15(22)12-4-5-13(18)14(19)8-12/h4-5,8,11H,6-7,9-10,20H2,1-3H3,(H,21,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide has a molecular weight of 326.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,4-difluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 119598529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).