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

C19H29FN2O4 — CID 87617301

IUPAC5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide
SMILESCC1CCC(O)(C(CC(O)C(N)Cc2ccccc2F)C(=O)NO)CC1
InChIInChI=1S/C19H29FN2O4/c1-12-6-8-19(25,9-7-12)14(18(24)22-26)11-17(23)16(21)10-13-4-2-3-5-15(13)20/h2-5,12,14,16-17,23,25-26H,6-11,21H2,1H3,(H,22,24)
InChIKeyNDIFIQUETJMGMC-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.51
Rot. Bonds7

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

5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide (PubChem CID 87617301) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide.

Molecular Properties

Compound Name5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide
PubChem CID87617301
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide
SMILESCC1CCC(O)(C(CC(O)C(N)Cc2ccccc2F)C(=O)NO)CC1
InChIInChI=1S/C19H29FN2O4/c1-12-6-8-19(25,9-7-12)14(18(24)22-26)11-17(23)16(21)10-13-4-2-3-5-15(13)20/h2-5,12,14,16-17,23,25-26H,6-11,21H2,1H3,(H,22,24)
InChIKeyNDIFIQUETJMGMC-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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Related Compounds

5-amino-6-(3-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide
CID 87616017
(2S,4S,5S)-5-amino-N,4-dihydroxy-2-(1-hydroxy-3,5-dimethylcyclohexyl)-6-phenylhexanamide
CID 87616266
(2S,4S,5S)-5-amino-N,4-dihydroxy-2-(9-hydroxy-9-bicyclo[3.3.1]nonanyl)-6-phenylhexanamide
CID 87616550
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119061
(2S,4S,5S)-5-amino-4-hydroxy-2-(1-hydroxy-4,4-dimethylcyclohexyl)-6-phenylhexanamide
CID 68897246
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115406
[[3-hydroxy-6-(hydroxyamino)-5-(1-hydroxy-4-methylcyclohexyl)-6-oxo-1-(1,3-thiazol-4-yl)hexan-2-yl]amino] quinoxaline-2-carboxylate
CID 57079735
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
The IUPAC name of 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide (CID 87617301) is 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide.
What is the SMILES notation for 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
The canonical SMILES for 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide is CC1CCC(O)(C(CC(O)C(N)Cc2ccccc2F)C(=O)NO)CC1.
What is the InChIKey of 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
The InChIKey is NDIFIQUETJMGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O4/c1-12-6-8-19(25,9-7-12)14(18(24)22-26)11-17(23)16(21)10-13-4-2-3-5-15(13)20/h2-5,12,14,16-17,23,25-26H,6-11,21H2,1H3,(H,22,24).
What are the key properties of 5-amino-6-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide?
5-amino-6-(2-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-(2-fluorophenyl)-N,4-dihydroxy-2-(1-hydroxy-4-methylcyclohexyl)hexanamide is sourced from PubChem (CID 87617301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).