6-acetamido-N-(oxolan-2-ylmethyl)hexanamide

C13H24N2O3 — CID 86978113

IUPAC6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1CCCO1
InChIInChI=1S/C13H24N2O3/c1-11(16)14-8-4-2-3-7-13(17)15-10-12-6-5-9-18-12/h12H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyUHMMJKXGACLBOS-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds8

About 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide

6-acetamido-N-(oxolan-2-ylmethyl)hexanamide (PubChem CID 86978113) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
PubChem CID86978113
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1CCCO1
InChIInChI=1S/C13H24N2O3/c1-11(16)14-8-4-2-3-7-13(17)15-10-12-6-5-9-18-12/h12H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyUHMMJKXGACLBOS-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
N-(oxetan-2-ylmethyl)acetamide
CID 166482133
oxan-2-ylmethyl 6-acetamidohexanoate
CID 134050656
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
2-(hexadecylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 54808872
(5Z,8Z,11Z,14Z)-N-[[(2R)-oxolan-2-yl]methyl]icosa-5,8,11,14-tetraenamide
CID 23625079
N'-[[(2R)-oxolan-2-yl]methyl]-N-(3-propan-2-yloxypropyl)butanediamide
CID 7303816
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N'-(oxolan-2-ylmethyl)-N-prop-2-enylbutanediamide
CID 51362590

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide?
The IUPAC name of 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide (CID 86978113) is 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide?
The canonical SMILES for 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide is CC(=O)NCCCCCC(=O)NCC1CCCO1.
What is the InChIKey of 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide?
The InChIKey is UHMMJKXGACLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(16)14-8-4-2-3-7-13(17)15-10-12-6-5-9-18-12/h12H,2-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide?
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide has a molecular weight of 256.35 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(oxolan-2-ylmethyl)hexanamide is sourced from PubChem (CID 86978113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).