4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide

C17H25F2NO — CID 167903936

IUPAC4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide
SMILESCCCC(CCc1ccccc1)NC(=O)C(C)CC(F)F
InChIInChI=1S/C17H25F2NO/c1-3-7-15(11-10-14-8-5-4-6-9-14)20-17(21)13(2)12-16(18)19/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,20,21)
InChIKeyPTGPFBSEOUCLFX-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.20
Rot. Bonds9

About 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide

4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide (PubChem CID 167903936) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide
PubChem CID167903936
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide
SMILESCCCC(CCc1ccccc1)NC(=O)C(C)CC(F)F
InChIInChI=1S/C17H25F2NO/c1-3-7-15(11-10-14-8-5-4-6-9-14)20-17(21)13(2)12-16(18)19/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,20,21)
InChIKeyPTGPFBSEOUCLFX-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272
(Z)-4-oxo-4-(1-phenylhexan-3-ylamino)but-2-enoic acid
CID 102248926
3-methyl-5-(1-phenylhexan-3-ylamino)heptan-4-one
CID 143057501
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
CID 119802845
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
N-(1-phenylhexan-3-yl)cyclopropanamine
CID 115704621
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide?
The IUPAC name of 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide (CID 167903936) is 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide.
What is the SMILES notation for 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide?
The canonical SMILES for 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide is CCCC(CCc1ccccc1)NC(=O)C(C)CC(F)F.
What is the InChIKey of 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide?
The InChIKey is PTGPFBSEOUCLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-7-15(11-10-14-8-5-4-6-9-14)20-17(21)13(2)12-16(18)19/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,20,21).
What are the key properties of 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide?
4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide has a molecular weight of 297.39 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide is sourced from PubChem (CID 167903936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).