4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide

C12H22F2N2O2 — CID 70069228

IUPAC4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide
SMILESCNC(=O)C(F)C(O)C(N)C(F)C1CCCCC1
InChIInChI=1S/C12H22F2N2O2/c1-16-12(18)9(14)11(17)10(15)8(13)7-5-3-2-4-6-7/h7-11,17H,2-6,15H2,1H3,(H,16,18)
InChIKeyKDTCSNPGTWKPLJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.68
Rot. Bonds5

About 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide

4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide (PubChem CID 70069228) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide
PubChem CID70069228
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide
SMILESCNC(=O)C(F)C(O)C(N)C(F)C1CCCCC1
InChIInChI=1S/C12H22F2N2O2/c1-16-12(18)9(14)11(17)10(15)8(13)7-5-3-2-4-6-7/h7-11,17H,2-6,15H2,1H3,(H,16,18)
InChIKeyKDTCSNPGTWKPLJ-UHFFFAOYSA-N
XLogP0.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide?
The IUPAC name of 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide (CID 70069228) is 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide.
What is the SMILES notation for 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide?
The canonical SMILES for 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide is CNC(=O)C(F)C(O)C(N)C(F)C1CCCCC1.
What is the InChIKey of 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide?
The InChIKey is KDTCSNPGTWKPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-16-12(18)9(14)11(17)10(15)8(13)7-5-3-2-4-6-7/h7-11,17H,2-6,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide?
4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide has a molecular weight of 264.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide is sourced from PubChem (CID 70069228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).