N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide

C18H26FNO5 — CID 165000992

IUPACN-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESC[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C18H26FNO5/c1-11-16(18(24)17(23)14(10-21)25-11)20-15(22)5-3-2-4-12-6-8-13(19)9-7-12/h6-9,11,14,16-18,21,23-24H,2-5,10H2,1H3,(H,20,22)/t11-,14?,16?,17+,18?/m0/s1
InChIKeyIGEQGUDRMTZVSE-CORRRBRISA-N
MW355.41 g/mol
LogP0.52
Rot. Bonds7

About N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide

N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide (PubChem CID 165000992) has the molecular formula C18H26FNO5 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound NameN-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide
PubChem CID165000992
Molecular FormulaC18H26FNO5
Molecular Weight355.41 g/mol
Exact Mass355.18
IUPAC NameN-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESC[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C18H26FNO5/c1-11-16(18(24)17(23)14(10-21)25-11)20-15(22)5-3-2-4-12-6-8-13(19)9-7-12/h6-9,11,14,16-18,21,23-24H,2-5,10H2,1H3,(H,20,22)/t11-,14?,16?,17+,18?/m0/s1
InChIKeyIGEQGUDRMTZVSE-CORRRBRISA-N
XLogP0.52
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The IUPAC name of N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide (CID 165000992) is N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide.
What is the SMILES notation for N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The canonical SMILES for N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide is C[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)CCCCc1ccc(F)cc1.
What is the InChIKey of N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The InChIKey is IGEQGUDRMTZVSE-CORRRBRISA-N. The full InChI is InChI=1S/C18H26FNO5/c1-11-16(18(24)17(23)14(10-21)25-11)20-15(22)5-3-2-4-12-6-8-13(19)9-7-12/h6-9,11,14,16-18,21,23-24H,2-5,10H2,1H3,(H,20,22)/t11-,14?,16?,17+,18?/m0/s1.
What are the key properties of N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide has a molecular weight of 355.41 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-5-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 165000992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).