N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide

C13H24N2O6 — CID 162181645

IUPACN-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC1CC([N+](=O)[O-])C(O)[C@H](O)O1
InChIInChI=1S/C13H24N2O6/c1-13(2,3)5-4-10(16)14-7-8-6-9(15(19)20)11(17)12(18)21-8/h8-9,11-12,17-18H,4-7H2,1-3H3,(H,14,16)/t8?,9?,11?,12-/m1/s1
InChIKeyZPCJFUWXWCFQLP-HYHRHQCWSA-N
MW304.34 g/mol
LogP0.04
Rot. Bonds5

About N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide

N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide (PubChem CID 162181645) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide
PubChem CID162181645
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC NameN-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCC1CC([N+](=O)[O-])C(O)[C@H](O)O1
InChIInChI=1S/C13H24N2O6/c1-13(2,3)5-4-10(16)14-7-8-6-9(15(19)20)11(17)12(18)21-8/h8-9,11-12,17-18H,4-7H2,1-3H3,(H,14,16)/t8?,9?,11?,12-/m1/s1
InChIKeyZPCJFUWXWCFQLP-HYHRHQCWSA-N
XLogP0.04
TPSA121.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide 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-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide (CID 162181645) is N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCC1CC([N+](=O)[O-])C(O)[C@H](O)O1.
What is the InChIKey of N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide?
The InChIKey is ZPCJFUWXWCFQLP-HYHRHQCWSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-13(2,3)5-4-10(16)14-7-8-6-9(15(19)20)11(17)12(18)21-8/h8-9,11-12,17-18H,4-7H2,1-3H3,(H,14,16)/t8?,9?,11?,12-/m1/s1.
What are the key properties of N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide?
N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide has a molecular weight of 304.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-5,6-dihydroxy-4-nitrooxan-2-yl]methyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 162181645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).