N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide

C15H27NO3 — CID 129295904

IUPACN-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide
SMILESCCC(C)NC(=O)CCCCC(=O)C1CCOCC1
InChIInChI=1S/C15H27NO3/c1-3-12(2)16-15(18)7-5-4-6-14(17)13-8-10-19-11-9-13/h12-13H,3-11H2,1-2H3,(H,16,18)
InChIKeyNTYVNFRPSKAVIA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.46
Rot. Bonds8

About N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide

N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide (PubChem CID 129295904) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide
PubChem CID129295904
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide
SMILESCCC(C)NC(=O)CCCCC(=O)C1CCOCC1
InChIInChI=1S/C15H27NO3/c1-3-12(2)16-15(18)7-5-4-6-14(17)13-8-10-19-11-9-13/h12-13H,3-11H2,1-2H3,(H,16,18)
InChIKeyNTYVNFRPSKAVIA-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide?
The IUPAC name of N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide (CID 129295904) is N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide.
What is the SMILES notation for N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide?
The canonical SMILES for N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide is CCC(C)NC(=O)CCCCC(=O)C1CCOCC1.
What is the InChIKey of N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide?
The InChIKey is NTYVNFRPSKAVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-12(2)16-15(18)7-5-4-6-14(17)13-8-10-19-11-9-13/h12-13H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide?
N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide has a molecular weight of 269.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(oxan-4-yl)-6-oxohexanamide is sourced from PubChem (CID 129295904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).