N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide

C14H28N2O6 — CID 22084325

IUPACN-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide
SMILESCC(=O)NCCCCCCNCC1(O)OCC(O)C(O)C1O
InChIInChI=1S/C14H28N2O6/c1-10(17)16-7-5-3-2-4-6-15-9-14(21)13(20)12(19)11(18)8-22-14/h11-13,15,18-21H,2-9H2,1H3,(H,16,17)
InChIKeyINJFVPQKAPJXRN-UHFFFAOYSA-N
MW320.39 g/mol
LogP-1.93
Rot. Bonds9

About N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide

N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide (PubChem CID 22084325) has the molecular formula C14H28N2O6 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide.

Molecular Properties

Compound NameN-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide
PubChem CID22084325
Molecular FormulaC14H28N2O6
Molecular Weight320.39 g/mol
Exact Mass320.19
IUPAC NameN-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide
SMILESCC(=O)NCCCCCCNCC1(O)OCC(O)C(O)C1O
InChIInChI=1S/C14H28N2O6/c1-10(17)16-7-5-3-2-4-6-15-9-14(21)13(20)12(19)11(18)8-22-14/h11-13,15,18-21H,2-9H2,1H3,(H,16,17)
InChIKeyINJFVPQKAPJXRN-UHFFFAOYSA-N
XLogP-1.93
TPSA131.28 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 5-1.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide?
The IUPAC name of N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide (CID 22084325) is N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide.
What is the SMILES notation for N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide?
The canonical SMILES for N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide is CC(=O)NCCCCCCNCC1(O)OCC(O)C(O)C1O.
What is the InChIKey of N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide?
The InChIKey is INJFVPQKAPJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O6/c1-10(17)16-7-5-3-2-4-6-15-9-14(21)13(20)12(19)11(18)8-22-14/h11-13,15,18-21H,2-9H2,1H3,(H,16,17).
What are the key properties of N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide?
N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of -1.93, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]hexyl]acetamide is sourced from PubChem (CID 22084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).