(2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide

C17H28F6N2O4 — CID 165084614

IUPAC(2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide
SMILESCC(=O)C[C@H](C(=O)N[C@@H](CCCN)C(O)COC(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C17H28F6N2O4/c1-9(2)11(7-10(3)26)14(28)25-12(5-4-6-24)13(27)8-29-15(16(18,19)20)17(21,22)23/h9,11-13,15,27H,4-8,24H2,1-3H3,(H,25,28)/t11-,12-,13?/m0/s1
InChIKeyFNCQEIGGIHYUES-VYAYZGMFSA-N
MW438.41 g/mol
LogP2.33
Rot. Bonds12

About (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide

(2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide (PubChem CID 165084614) has the molecular formula C17H28F6N2O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide
PubChem CID165084614
Molecular FormulaC17H28F6N2O4
Molecular Weight438.41 g/mol
Exact Mass438.20
IUPAC Name(2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide
SMILESCC(=O)C[C@H](C(=O)N[C@@H](CCCN)C(O)COC(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C17H28F6N2O4/c1-9(2)11(7-10(3)26)14(28)25-12(5-4-6-24)13(27)8-29-15(16(18,19)20)17(21,22)23/h9,11-13,15,27H,4-8,24H2,1-3H3,(H,25,28)/t11-,12-,13?/m0/s1
InChIKeyFNCQEIGGIHYUES-VYAYZGMFSA-N
XLogP2.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide?
The IUPAC name of (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide (CID 165084614) is (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide.
What is the SMILES notation for (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide?
The canonical SMILES for (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide is CC(=O)C[C@H](C(=O)N[C@@H](CCCN)C(O)COC(C(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide?
The InChIKey is FNCQEIGGIHYUES-VYAYZGMFSA-N. The full InChI is InChI=1S/C17H28F6N2O4/c1-9(2)11(7-10(3)26)14(28)25-12(5-4-6-24)13(27)8-29-15(16(18,19)20)17(21,22)23/h9,11-13,15,27H,4-8,24H2,1-3H3,(H,25,28)/t11-,12-,13?/m0/s1.
What are the key properties of (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide?
(2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide has a molecular weight of 438.41 g/mol, XLogP of 2.33, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-6-amino-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-hydroxyhexan-3-yl]-4-oxo-2-propan-2-ylpentanamide is sourced from PubChem (CID 165084614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).