5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide

C19H29FN2O4 — CID 87616017

IUPAC5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide
SMILESCC1CCC(O)(C(CC(O)C(N)Cc2cccc(F)c2)C(=O)NO)CC1
InChIInChI=1S/C19H29FN2O4/c1-12-5-7-19(25,8-6-12)15(18(24)22-26)11-17(23)16(21)10-13-3-2-4-14(20)9-13/h2-4,9,12,15-17,23,25-26H,5-8,10-11,21H2,1H3,(H,22,24)
InChIKeyOWBVJOLXLUMYNA-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.51
Rot. Bonds7

About 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide

5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide (PubChem CID 87616017) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide.

Molecular Properties

Compound Name5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide
PubChem CID87616017
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide
SMILESCC1CCC(O)(C(CC(O)C(N)Cc2cccc(F)c2)C(=O)NO)CC1
InChIInChI=1S/C19H29FN2O4/c1-12-5-7-19(25,8-6-12)15(18(24)22-26)11-17(23)16(21)10-13-3-2-4-14(20)9-13/h2-4,9,12,15-17,23,25-26H,5-8,10-11,21H2,1H3,(H,22,24)
InChIKeyOWBVJOLXLUMYNA-UHFFFAOYSA-N
XLogP1.51
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
The IUPAC name of 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide (CID 87616017) is 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide.
What is the SMILES notation for 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
The canonical SMILES for 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide is CC1CCC(O)(C(CC(O)C(N)Cc2cccc(F)c2)C(=O)NO)CC1.
What is the InChIKey of 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
The InChIKey is OWBVJOLXLUMYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O4/c1-12-5-7-19(25,8-6-12)15(18(24)22-26)11-17(23)16(21)10-13-3-2-4-14(20)9-13/h2-4,9,12,15-17,23,25-26H,5-8,10-11,21H2,1H3,(H,22,24).
What are the key properties of 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide has a molecular weight of 368.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide is sourced from PubChem (CID 87616017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).