N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide

C23H44N2O5 — CID 78120059

IUPACN-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide
SMILESCC(C)(C)C(=O)N(CCCCCCN1CC(O)C(O)C(O)C1CO)C1CCCCC1
InChIInChI=1S/C23H44N2O5/c1-23(2,3)22(30)25(17-11-7-6-8-12-17)14-10-5-4-9-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,4-16H2,1-3H3
InChIKeyDWMQGQSPNDGKJC-UHFFFAOYSA-N
MW428.61 g/mol
LogP1.51
Rot. Bonds9

About N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide

N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide (PubChem CID 78120059) has the molecular formula C23H44N2O5 and a molecular weight of 428.61 g/mol. Its IUPAC name is N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide
PubChem CID78120059
Molecular FormulaC23H44N2O5
Molecular Weight428.61 g/mol
Exact Mass428.33
IUPAC NameN-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide
SMILESCC(C)(C)C(=O)N(CCCCCCN1CC(O)C(O)C(O)C1CO)C1CCCCC1
InChIInChI=1S/C23H44N2O5/c1-23(2,3)22(30)25(17-11-7-6-8-12-17)14-10-5-4-9-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,4-16H2,1-3H3
InChIKeyDWMQGQSPNDGKJC-UHFFFAOYSA-N
XLogP1.51
TPSA104.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide?
The IUPAC name of N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide (CID 78120059) is N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide?
The canonical SMILES for N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide is CC(C)(C)C(=O)N(CCCCCCN1CC(O)C(O)C(O)C1CO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide?
The InChIKey is DWMQGQSPNDGKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O5/c1-23(2,3)22(30)25(17-11-7-6-8-12-17)14-10-5-4-9-13-24-15-19(27)21(29)20(28)18(24)16-26/h17-21,26-29H,4-16H2,1-3H3.
What are the key properties of N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide?
N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide has a molecular weight of 428.61 g/mol, XLogP of 1.51, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-dimethyl-N-[6-[3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]propanamide is sourced from PubChem (CID 78120059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).