N-(oxan-4-yl)-6-phenylhexanamide

C17H25NO2 — CID 154665768

IUPACN-(oxan-4-yl)-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NC1CCOCC1
InChIInChI=1S/C17H25NO2/c19-17(18-16-11-13-20-14-12-16)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,18,19)
InChIKeyRXXQIZRMEWSVHT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.08
Rot. Bonds7

About N-(oxan-4-yl)-6-phenylhexanamide

N-(oxan-4-yl)-6-phenylhexanamide (PubChem CID 154665768) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-phenylhexanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-phenylhexanamide
PubChem CID154665768
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(oxan-4-yl)-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NC1CCOCC1
InChIInChI=1S/C17H25NO2/c19-17(18-16-11-13-20-14-12-16)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,18,19)
InChIKeyRXXQIZRMEWSVHT-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(oxan-4-yl)-6-phenylhexanamide?
The IUPAC name of N-(oxan-4-yl)-6-phenylhexanamide (CID 154665768) is N-(oxan-4-yl)-6-phenylhexanamide.
What is the SMILES notation for N-(oxan-4-yl)-6-phenylhexanamide?
The canonical SMILES for N-(oxan-4-yl)-6-phenylhexanamide is O=C(CCCCCc1ccccc1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-6-phenylhexanamide?
The InChIKey is RXXQIZRMEWSVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17(18-16-11-13-20-14-12-16)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,18,19).
What are the key properties of N-(oxan-4-yl)-6-phenylhexanamide?
N-(oxan-4-yl)-6-phenylhexanamide has a molecular weight of 275.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-phenylhexanamide is sourced from PubChem (CID 154665768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).