N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide

C17H31F2NO3 — CID 171594071

IUPACN-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(C)OCC1CCC(F)(F)CC1)C(C)(C)O
InChIInChI=1S/C17H31F2NO3/c1-11(2)15(21)20-14(16(4,5)22)12(3)23-10-13-6-8-17(18,19)9-7-13/h11-14,22H,6-10H2,1-5H3,(H,20,21)
InChIKeyRZNNNSDPGYVAPJ-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.13
Rot. Bonds7

About N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide

N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide (PubChem CID 171594071) has the molecular formula C17H31F2NO3 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide
PubChem CID171594071
Molecular FormulaC17H31F2NO3
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC NameN-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(C)OCC1CCC(F)(F)CC1)C(C)(C)O
InChIInChI=1S/C17H31F2NO3/c1-11(2)15(21)20-14(16(4,5)22)12(3)23-10-13-6-8-17(18,19)9-7-13/h11-14,22H,6-10H2,1-5H3,(H,20,21)
InChIKeyRZNNNSDPGYVAPJ-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide (CID 171594071) is N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide is CC(C)C(=O)NC(C(C)OCC1CCC(F)(F)CC1)C(C)(C)O.
What is the InChIKey of N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide?
The InChIKey is RZNNNSDPGYVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F2NO3/c1-11(2)15(21)20-14(16(4,5)22)12(3)23-10-13-6-8-17(18,19)9-7-13/h11-14,22H,6-10H2,1-5H3,(H,20,21).
What are the key properties of N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide?
N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide has a molecular weight of 335.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,4-difluorocyclohexyl)methoxy]-2-hydroxy-2-methylpentan-3-yl]-2-methylpropanamide is sourced from PubChem (CID 171594071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).