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

C19H28FNO5 — CID 163503026

IUPACN-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESCC[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C19H28FNO5/c1-2-14-17(19(25)18(24)15(11-22)26-14)21-16(23)6-4-3-5-12-7-9-13(20)10-8-12/h7-10,14-15,17-19,22,24-25H,2-6,11H2,1H3,(H,21,23)/t14-,15?,17?,18+,19?/m0/s1
InChIKeyCWIGJDAJNQCVOS-ZEBODPKUSA-N
MW369.43 g/mol
LogP0.91
Rot. Bonds8

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

N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide (PubChem CID 163503026) has the molecular formula C19H28FNO5 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound NameN-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide
PubChem CID163503026
Molecular FormulaC19H28FNO5
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC NameN-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESCC[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C19H28FNO5/c1-2-14-17(19(25)18(24)15(11-22)26-14)21-16(23)6-4-3-5-12-7-9-13(20)10-8-12/h7-10,14-15,17-19,22,24-25H,2-6,11H2,1H3,(H,21,23)/t14-,15?,17?,18+,19?/m0/s1
InChIKeyCWIGJDAJNQCVOS-ZEBODPKUSA-N
XLogP0.91
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.91
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)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The IUPAC name of N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide (CID 163503026) is N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide.
What is the SMILES notation for N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The canonical SMILES for N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide is CC[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(=O)CCCCc1ccc(F)cc1.
What is the InChIKey of N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The InChIKey is CWIGJDAJNQCVOS-ZEBODPKUSA-N. The full InChI is InChI=1S/C19H28FNO5/c1-2-14-17(19(25)18(24)15(11-22)26-14)21-16(23)6-4-3-5-12-7-9-13(20)10-8-12/h7-10,14-15,17-19,22,24-25H,2-6,11H2,1H3,(H,21,23)/t14-,15?,17?,18+,19?/m0/s1.
What are the key properties of N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide?
N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide has a molecular weight of 369.43 g/mol, XLogP of 0.91, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S)-2-ethyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 163503026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).