4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide

C15H28F2N2O2 — CID 14277664

IUPAC4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C15H28F2N2O2/c1-10(2)9-19-14(21)15(16,17)13(20)12(18)8-11-6-4-3-5-7-11/h10-13,20H,3-9,18H2,1-2H3,(H,19,21)
InChIKeyMPYNELJAJFXNDX-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.05
Rot. Bonds7

About 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide

4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide (PubChem CID 14277664) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide
PubChem CID14277664
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Name4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC(C)CNC(=O)C(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C15H28F2N2O2/c1-10(2)9-19-14(21)15(16,17)13(20)12(18)8-11-6-4-3-5-7-11/h10-13,20H,3-9,18H2,1-2H3,(H,19,21)
InChIKeyMPYNELJAJFXNDX-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.05
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-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide?
The IUPAC name of 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide (CID 14277664) is 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide is CC(C)CNC(=O)C(F)(F)C(O)C(N)CC1CCCCC1.
What is the InChIKey of 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide?
The InChIKey is MPYNELJAJFXNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-10(2)9-19-14(21)15(16,17)13(20)12(18)8-11-6-4-3-5-7-11/h10-13,20H,3-9,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide?
4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide has a molecular weight of 306.40 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 14277664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).