(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide

C14H24F2N2O2 — CID 170579438

IUPAC(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide
SMILESCC(=O)NC[C@@H](C)C(=O)N[C@H](C(F)F)C1CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-9(8-17-10(2)19)14(20)18-12(13(15)16)11-6-4-3-5-7-11/h9,11-13H,3-8H2,1-2H3,(H,17,19)(H,18,20)/t9-,12+/m1/s1
InChIKeyNLUMWMUWRHEKFI-SKDRFNHKSA-N
MW290.35 g/mol
LogP2.09
Rot. Bonds6

About (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide

(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide (PubChem CID 170579438) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide
PubChem CID170579438
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide
SMILESCC(=O)NC[C@@H](C)C(=O)N[C@H](C(F)F)C1CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-9(8-17-10(2)19)14(20)18-12(13(15)16)11-6-4-3-5-7-11/h9,11-13H,3-8H2,1-2H3,(H,17,19)(H,18,20)/t9-,12+/m1/s1
InChIKeyNLUMWMUWRHEKFI-SKDRFNHKSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-acetamido-2-cyclohexylethyl]acetamide
CID 10680769
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782455
1-cyclohexyl-2,2-difluoro-N-methylethanamine
CID 80606050
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
N-butyl-2-cyclopentylpropanamide
CID 173178636
4-cyclohexyl-4-fluorobutan-2-one
CID 105435232
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119809042
N-[(2S)-1-acetamido-4-methyl-3-oxopentan-2-yl]-2-methylpropanamide
CID 168749459
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide?
The IUPAC name of (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide (CID 170579438) is (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide.
What is the SMILES notation for (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide?
The canonical SMILES for (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide is CC(=O)NC[C@@H](C)C(=O)N[C@H](C(F)F)C1CCCCC1.
What is the InChIKey of (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide?
The InChIKey is NLUMWMUWRHEKFI-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-9(8-17-10(2)19)14(20)18-12(13(15)16)11-6-4-3-5-7-11/h9,11-13H,3-8H2,1-2H3,(H,17,19)(H,18,20)/t9-,12+/m1/s1.
What are the key properties of (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide?
(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide has a molecular weight of 290.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide is sourced from PubChem (CID 170579438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).