N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide

C16H30F2N2O2 — CID 14720132

IUPACN-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C16H30F2N2O2/c1-11(2)8-14(21)20-10-16(17,18)15(22)13(19)9-12-6-4-3-5-7-12/h11-13,15,22H,3-10,19H2,1-2H3,(H,20,21)
InChIKeyBNTKWTRAQIZFEQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.44
Rot. Bonds8

About N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide

N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide (PubChem CID 14720132) has the molecular formula C16H30F2N2O2 and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide
PubChem CID14720132
Molecular FormulaC16H30F2N2O2
Molecular Weight320.42 g/mol
Exact Mass320.23
IUPAC NameN-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C16H30F2N2O2/c1-11(2)8-14(21)20-10-16(17,18)15(22)13(19)9-12-6-4-3-5-7-12/h11-13,15,22H,3-10,19H2,1-2H3,(H,20,21)
InChIKeyBNTKWTRAQIZFEQ-UHFFFAOYSA-N
XLogP2.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide?
The IUPAC name of N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide (CID 14720132) is N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide?
The canonical SMILES for N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide is CC(C)CC(=O)NCC(F)(F)C(O)C(N)CC1CCCCC1.
What is the InChIKey of N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide?
The InChIKey is BNTKWTRAQIZFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O2/c1-11(2)8-14(21)20-10-16(17,18)15(22)13(19)9-12-6-4-3-5-7-12/h11-13,15,22H,3-10,19H2,1-2H3,(H,20,21).
What are the key properties of N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide?
N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide has a molecular weight of 320.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)-3-methylbutanamide is sourced from PubChem (CID 14720132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).