N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide

C13H26F2N2O2 — CID 88612783

IUPACN-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(F)(F)C(O)C(N)CC(C)C
InChIInChI=1S/C13H26F2N2O2/c1-8(2)5-10(16)12(19)13(14,15)7-17-11(18)6-9(3)4/h8-10,12,19H,5-7,16H2,1-4H3,(H,17,18)
InChIKeyJZTBTMOWSPPMFV-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.52
Rot. Bonds8

About N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide

N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide (PubChem CID 88612783) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide
PubChem CID88612783
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC NameN-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(F)(F)C(O)C(N)CC(C)C
InChIInChI=1S/C13H26F2N2O2/c1-8(2)5-10(16)12(19)13(14,15)7-17-11(18)6-9(3)4/h8-10,12,19H,5-7,16H2,1-4H3,(H,17,18)
InChIKeyJZTBTMOWSPPMFV-UHFFFAOYSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[(1R*)-1-(trans-3-hydroxycyclobutyl)propyl]butanamide
CID 91768221
2,2-difluoro-3-hydroxy-4-methyl-N-propan-2-ylpentanamide
CID 16090039
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
CID 10490109
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide
CID 10846113
N-[1-[(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 14719965
N-[2,2-difluoro-3-hydroxy-6-methyl-1-[2-(3-methylbutanoylamino)propanoylamino]heptan-4-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 14719969
N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-2-methyl-N'-(3-methylbutyl)propanediamide
CID 14720027
N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)acetamide
CID 14720108
2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate
CID 14720114
N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide
CID 14720132
N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-4-methylpentanamide
CID 20027186
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride
CID 22849256

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide?
The IUPAC name of N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide (CID 88612783) is N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide?
The canonical SMILES for N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide is CC(C)CC(=O)NCC(F)(F)C(O)C(N)CC(C)C.
What is the InChIKey of N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide?
The InChIKey is JZTBTMOWSPPMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2/c1-8(2)5-10(16)12(19)13(14,15)7-17-11(18)6-9(3)4/h8-10,12,19H,5-7,16H2,1-4H3,(H,17,18).
What are the key properties of N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide?
N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide has a molecular weight of 280.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)-3-methylbutanamide is sourced from PubChem (CID 88612783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).