N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide

C12H22F2N2O2 — CID 106176276

IUPACN-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NC1CCCCCC1
InChIInChI=1S/C12H22F2N2O2/c13-12(14,9-17)8-15-7-11(18)16-10-5-3-1-2-4-6-10/h10,15,17H,1-9H2,(H,16,18)
InChIKeyHTAGSRITJJVPLH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.04
Rot. Bonds6

About N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide

N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (PubChem CID 106176276) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
PubChem CID106176276
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NC1CCCCCC1
InChIInChI=1S/C12H22F2N2O2/c13-12(14,9-17)8-15-7-11(18)16-10-5-3-1-2-4-6-10/h10,15,17H,1-9H2,(H,16,18)
InChIKeyHTAGSRITJJVPLH-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 115518172
N-cyclopentyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43389811
N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176452
methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
CID 60687528
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
3-(cycloheptylamino)-2,2-difluoropropan-1-ol
CID 104857454
N-cyclopentyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79552375
N-cyclopentyl-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111256
N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 113327343
N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (CID 106176276) is N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is O=C(CNCC(F)(F)CO)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The InChIKey is HTAGSRITJJVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c13-12(14,9-17)8-15-7-11(18)16-10-5-3-1-2-4-6-10/h10,15,17H,1-9H2,(H,16,18).
What are the key properties of N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 106176276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).