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

C20H30FNO5 — CID 155119204

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESCC(C)C1OC(CO)C(O)C(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)
InChIKeyICSYMKCFHKDYCW-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.16
Rot. Bonds8

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

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide (PubChem CID 155119204) has the molecular formula C20H30FNO5 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide
PubChem CID155119204
Molecular FormulaC20H30FNO5
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide
SMILESCC(C)C1OC(CO)C(O)C(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)
InChIKeyICSYMKCFHKDYCW-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide (CID 155119204) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide is CC(C)C1OC(CO)C(O)C(O)C1NC(=O)CCCCc1ccc(F)cc1.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
The InChIKey is ICSYMKCFHKDYCW-UHFFFAOYSA-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).
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide?
N-[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-[4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]-5-(4-fluorophenyl)pentanamide is sourced from PubChem (CID 155119204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).