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

C20H30FNO5 — CID 155614590

IUPACN-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESCC(C)[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1NC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C20H30FNO5/c1-12(2)20-17(19(26)18(25)15(11-23)27-20)22-16(24)6-4-3-5-13-7-9-14(21)10-8-13/h7-10,12,15,17-20,23,25-26H,3-6,11H2,1-2H3,(H,22,24)/t15?,17?,18-,19-,20+/m1/s1
InChIKeyICSYMKCFHKDYCW-FLLWYEDFSA-N
MW383.46 g/mol
LogP1.16
Rot. Bonds8

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

N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide (PubChem CID 155614590) has the molecular formula C20H30FNO5 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound NameN-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide
PubChem CID155614590
Molecular FormulaC20H30FNO5
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESCC(C)[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1NC(=O)CCCCc1ccc(F)cc1
InChIInChI=1S/C20H30FNO5/c1-12(2)20-17(19(26)18(25)15(11-23)27-20)22-16(24)6-4-3-5-13-7-9-14(21)10-8-13/h7-10,12,15,17-20,23,25-26H,3-6,11H2,1-2H3,(H,22,24)/t15?,17?,18-,19-,20+/m1/s1
InChIKeyICSYMKCFHKDYCW-FLLWYEDFSA-N
XLogP1.16
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The IUPAC name of N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide (CID 155614590) is N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide.
What is the SMILES notation for N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The canonical SMILES for N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide is CC(C)[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1NC(=O)CCCCc1ccc(F)cc1.
What is the InChIKey of N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The InChIKey is ICSYMKCFHKDYCW-FLLWYEDFSA-N. The full InChI is InChI=1S/C20H30FNO5/c1-12(2)20-17(19(26)18(25)15(11-23)27-20)22-16(24)6-4-3-5-13-7-9-14(21)10-8-13/h7-10,12,15,17-20,23,25-26H,3-6,11H2,1-2H3,(H,22,24)/t15?,17?,18-,19-,20+/m1/s1.
What are the key properties of N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide has a molecular weight of 383.46 g/mol, XLogP of 1.16, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 155614590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).