N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide

C20H30F2N2O — CID 53326706

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H30F2N2O/c1-20(2,3)19(25)24(4)16-8-5-13(6-9-16)18(23)12-14-11-15(21)7-10-17(14)22/h7,10-11,13,16,18H,5-6,8-9,12,23H2,1-4H3/t13?,16?,18-/m1/s1
InChIKeyXUVZILXTMHUZNS-PVCYVWKFSA-N
MW352.47 g/mol
LogP3.90
Rot. Bonds4

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide (PubChem CID 53326706) has the molecular formula C20H30F2N2O and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide
PubChem CID53326706
Molecular FormulaC20H30F2N2O
Molecular Weight352.47 g/mol
Exact Mass352.23
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H30F2N2O/c1-20(2,3)19(25)24(4)16-8-5-13(6-9-16)18(23)12-14-11-15(21)7-10-17(14)22/h7,10-11,13,16,18H,5-6,8-9,12,23H2,1-4H3/t13?,16?,18-/m1/s1
InChIKeyXUVZILXTMHUZNS-PVCYVWKFSA-N
XLogP3.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide (CID 53326706) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide?
The InChIKey is XUVZILXTMHUZNS-PVCYVWKFSA-N. The full InChI is InChI=1S/C20H30F2N2O/c1-20(2,3)19(25)24(4)16-8-5-13(6-9-16)18(23)12-14-11-15(21)7-10-17(14)22/h7,10-11,13,16,18H,5-6,8-9,12,23H2,1-4H3/t13?,16?,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide has a molecular weight of 352.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 53326706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).