N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide

C23H36F2N2O2 — CID 142625138

IUPACN-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide
SMILESCC(C)CC(N)C(=O)C(F)(F)CNC(=O)C(CCCc1ccccc1)CC(C)C
InChIInChI=1S/C23H36F2N2O2/c1-16(2)13-19(12-8-11-18-9-6-5-7-10-18)22(29)27-15-23(24,25)21(28)20(26)14-17(3)4/h5-7,9-10,16-17,19-20H,8,11-15,26H2,1-4H3,(H,27,29)
InChIKeyLUAWFXSVCYXOAG-UHFFFAOYSA-N
MW410.55 g/mol
LogP4.37
Rot. Bonds13

About N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide

N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide (PubChem CID 142625138) has the molecular formula C23H36F2N2O2 and a molecular weight of 410.55 g/mol. Its IUPAC name is N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide.

Molecular Properties

Compound NameN-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide
PubChem CID142625138
Molecular FormulaC23H36F2N2O2
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC NameN-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide
SMILESCC(C)CC(N)C(=O)C(F)(F)CNC(=O)C(CCCc1ccccc1)CC(C)C
InChIInChI=1S/C23H36F2N2O2/c1-16(2)13-19(12-8-11-18-9-6-5-7-10-18)22(29)27-15-23(24,25)21(28)20(26)14-17(3)4/h5-7,9-10,16-17,19-20H,8,11-15,26H2,1-4H3,(H,27,29)
InChIKeyLUAWFXSVCYXOAG-UHFFFAOYSA-N
XLogP4.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2,2-difluoro-3-hydroxy-6-methyl-1-[[4-methyl-2-(3-phenylpropyl)pentanoyl]amino]heptan-4-yl]carbamate
CID 14720136
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
(2S)-2-amino-4-phenyl-N-(5,5,5-trifluoropentyl)butanamide
CID 104984699
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide
CID 119769296
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
CID 104984745
2-amino-4-methylpentanoic acid;(2S)-2-[[(1R)-1-carboxyethyl]amino]-4-phenylbutanoic acid
CID 21311205
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
4-bromo-2,2-dimethyl-7-phenylheptan-3-one
CID 13371234

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide?
The IUPAC name of N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide (CID 142625138) is N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide.
What is the SMILES notation for N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide?
The canonical SMILES for N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide is CC(C)CC(N)C(=O)C(F)(F)CNC(=O)C(CCCc1ccccc1)CC(C)C.
What is the InChIKey of N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide?
The InChIKey is LUAWFXSVCYXOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F2N2O2/c1-16(2)13-19(12-8-11-18-9-6-5-7-10-18)22(29)27-15-23(24,25)21(28)20(26)14-17(3)4/h5-7,9-10,16-17,19-20H,8,11-15,26H2,1-4H3,(H,27,29).
What are the key properties of N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide?
N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide has a molecular weight of 410.55 g/mol, XLogP of 4.37, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-4-methyl-2-(3-phenylpropyl)pentanamide is sourced from PubChem (CID 142625138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).