6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide

C21H32N2O5 — CID 22452451

IUPAC6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide
SMILESCC(O)(C(N)=O)c1cccc(CCC(O)CC(C(=O)NO)C2CCCCC2)c1
InChIInChI=1S/C21H32N2O5/c1-21(27,20(22)26)16-9-5-6-14(12-16)10-11-17(24)13-18(19(25)23-28)15-7-3-2-4-8-15/h5-6,9,12,15,17-18,24,27-28H,2-4,7-8,10-11,13H2,1H3,(H2,22,26)(H,23,25)
InChIKeyKQTVUGUGTHCOSI-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.76
Rot. Bonds9

About 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide

6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide (PubChem CID 22452451) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide.

Molecular Properties

Compound Name6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide
PubChem CID22452451
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide
SMILESCC(O)(C(N)=O)c1cccc(CCC(O)CC(C(=O)NO)C2CCCCC2)c1
InChIInChI=1S/C21H32N2O5/c1-21(27,20(22)26)16-9-5-6-14(12-16)10-11-17(24)13-18(19(25)23-28)15-7-3-2-4-8-15/h5-6,9,12,15,17-18,24,27-28H,2-4,7-8,10-11,13H2,1H3,(H2,22,26)(H,23,25)
InChIKeyKQTVUGUGTHCOSI-UHFFFAOYSA-N
XLogP1.76
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.76
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 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide?
The IUPAC name of 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide (CID 22452451) is 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide.
What is the SMILES notation for 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide?
The canonical SMILES for 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide is CC(O)(C(N)=O)c1cccc(CCC(O)CC(C(=O)NO)C2CCCCC2)c1.
What is the InChIKey of 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide?
The InChIKey is KQTVUGUGTHCOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-21(27,20(22)26)16-9-5-6-14(12-16)10-11-17(24)13-18(19(25)23-28)15-7-3-2-4-8-15/h5-6,9,12,15,17-18,24,27-28H,2-4,7-8,10-11,13H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide?
6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide has a molecular weight of 392.50 g/mol, XLogP of 1.76, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-amino-2-hydroxy-1-oxopropan-2-yl)phenyl]-2-cyclohexyl-N,4-dihydroxyhexanamide is sourced from PubChem (CID 22452451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).