2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide

C16H30F2N2O3 — CID 57438444

IUPAC2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide
SMILESCC(C)CCNC(=O)C(C)NC(=O)C(F)(F)C(O)CCC(C)C
InChIInChI=1S/C16H30F2N2O3/c1-10(2)6-7-13(21)16(17,18)15(23)20-12(5)14(22)19-9-8-11(3)4/h10-13,21H,6-9H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyFCONOFLCHCENHV-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.09
Rot. Bonds10

About 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide

2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide (PubChem CID 57438444) has the molecular formula C16H30F2N2O3 and a molecular weight of 336.42 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide
PubChem CID57438444
Molecular FormulaC16H30F2N2O3
Molecular Weight336.42 g/mol
Exact Mass336.22
IUPAC Name2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide
SMILESCC(C)CCNC(=O)C(C)NC(=O)C(F)(F)C(O)CCC(C)C
InChIInChI=1S/C16H30F2N2O3/c1-10(2)6-7-13(21)16(17,18)15(23)20-12(5)14(22)19-9-8-11(3)4/h10-13,21H,6-9H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyFCONOFLCHCENHV-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide?
The IUPAC name of 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide (CID 57438444) is 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide is CC(C)CCNC(=O)C(C)NC(=O)C(F)(F)C(O)CCC(C)C.
What is the InChIKey of 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide?
The InChIKey is FCONOFLCHCENHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O3/c1-10(2)6-7-13(21)16(17,18)15(23)20-12(5)14(22)19-9-8-11(3)4/h10-13,21H,6-9H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide?
2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide has a molecular weight of 336.42 g/mol, XLogP of 2.09, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-6-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]heptanamide is sourced from PubChem (CID 57438444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).