N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide

C20H38N2O5 — CID 71720173

IUPACN-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide
SMILESCC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1
InChIInChI=1S/C20H38N2O5/c1-15(24)22(16-9-5-4-6-10-16)12-8-3-2-7-11-21-13-18(25)20(27)19(26)17(21)14-23/h16-20,23,25-27H,2-14H2,1H3/t17-,18+,19-,20-/m1/s1
InChIKeyQXVXPTFCJRZTCI-IYWMVGAKSA-N
MW386.53 g/mol
LogP0.49
Rot. Bonds9

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

N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide (PubChem CID 71720173) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide
PubChem CID71720173
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC NameN-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide
SMILESCC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1
InChIInChI=1S/C20H38N2O5/c1-15(24)22(16-9-5-4-6-10-16)12-8-3-2-7-11-21-13-18(25)20(27)19(26)17(21)14-23/h16-20,23,25-27H,2-14H2,1H3/t17-,18+,19-,20-/m1/s1
InChIKeyQXVXPTFCJRZTCI-IYWMVGAKSA-N
XLogP0.49
TPSA104.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 50.49
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-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide?
The IUPAC name of N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide (CID 71720173) is N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide is CC(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide?
The InChIKey is QXVXPTFCJRZTCI-IYWMVGAKSA-N. The full InChI is InChI=1S/C20H38N2O5/c1-15(24)22(16-9-5-4-6-10-16)12-8-3-2-7-11-21-13-18(25)20(27)19(26)17(21)14-23/h16-20,23,25-27H,2-14H2,1H3/t17-,18+,19-,20-/m1/s1.
What are the key properties of N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide?
N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide has a molecular weight of 386.53 g/mol, XLogP of 0.49, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]acetamide is sourced from PubChem (CID 71720173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).