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

C19H28F2N2O — CID 53322814

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H28F2N2O/c1-12(2)19(24)23(3)16-7-4-13(5-8-16)18(22)11-14-10-15(20)6-9-17(14)21/h6,9-10,12-13,16,18H,4-5,7-8,11,22H2,1-3H3/t13?,16?,18-/m1/s1
InChIKeyUADBUNNUDNCSNG-PVCYVWKFSA-N
MW338.44 g/mol
LogP3.51
Rot. Bonds5

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

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide (PubChem CID 53322814) has the molecular formula C19H28F2N2O and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide
PubChem CID53322814
Molecular FormulaC19H28F2N2O
Molecular Weight338.44 g/mol
Exact Mass338.22
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H28F2N2O/c1-12(2)19(24)23(3)16-7-4-13(5-8-16)18(22)11-14-10-15(20)6-9-17(14)21/h6,9-10,12-13,16,18H,4-5,7-8,11,22H2,1-3H3/t13?,16?,18-/m1/s1
InChIKeyUADBUNNUDNCSNG-PVCYVWKFSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.51
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-dimethylpropanamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide (CID 53322814) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(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-dimethylpropanamide?
The InChIKey is UADBUNNUDNCSNG-PVCYVWKFSA-N. The full InChI is InChI=1S/C19H28F2N2O/c1-12(2)19(24)23(3)16-7-4-13(5-8-16)18(22)11-14-10-15(20)6-9-17(14)21/h6,9-10,12-13,16,18H,4-5,7-8,11,22H2,1-3H3/t13?,16?,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,2-dimethylpropanamide has a molecular weight of 338.44 g/mol, XLogP of 3.51, 5 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-dimethylpropanamide is sourced from PubChem (CID 53322814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).