6-oxo-6-(4-propan-2-ylphenyl)hexanamide

C15H21NO2 — CID 174637388

IUPAC6-oxo-6-(4-propan-2-ylphenyl)hexanamide
SMILESCC(C)c1ccc(C(=O)CCCCC(N)=O)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)12-7-9-13(10-8-12)14(17)5-3-4-6-15(16)18/h7-11H,3-6H2,1-2H3,(H2,16,18)
InChIKeyLYZUQWVZBGRUKU-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.04
Rot. Bonds7

About 6-oxo-6-(4-propan-2-ylphenyl)hexanamide

6-oxo-6-(4-propan-2-ylphenyl)hexanamide (PubChem CID 174637388) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-oxo-6-(4-propan-2-ylphenyl)hexanamide.

Molecular Properties

Compound Name6-oxo-6-(4-propan-2-ylphenyl)hexanamide
PubChem CID174637388
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6-oxo-6-(4-propan-2-ylphenyl)hexanamide
SMILESCC(C)c1ccc(C(=O)CCCCC(N)=O)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)12-7-9-13(10-8-12)14(17)5-3-4-6-15(16)18/h7-11H,3-6H2,1-2H3,(H2,16,18)
InChIKeyLYZUQWVZBGRUKU-UHFFFAOYSA-N
XLogP3.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.04
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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Related Compounds

1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
5-oxo-5-(4-propan-2-ylphenyl)pentanoate
CID 7022366
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
2-[(2-amino-2-oxoethyl)-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]acetamide
CID 62923142
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
1-[4-(1-aminoethyl)phenyl]octan-1-one
CID 67603381
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
(2-amino-2-oxoethyl) 4-propan-2-ylbenzoate
CID 2505465

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(4-propan-2-ylphenyl)hexanamide?
The IUPAC name of 6-oxo-6-(4-propan-2-ylphenyl)hexanamide (CID 174637388) is 6-oxo-6-(4-propan-2-ylphenyl)hexanamide.
What is the SMILES notation for 6-oxo-6-(4-propan-2-ylphenyl)hexanamide?
The canonical SMILES for 6-oxo-6-(4-propan-2-ylphenyl)hexanamide is CC(C)c1ccc(C(=O)CCCCC(N)=O)cc1.
What is the InChIKey of 6-oxo-6-(4-propan-2-ylphenyl)hexanamide?
The InChIKey is LYZUQWVZBGRUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)12-7-9-13(10-8-12)14(17)5-3-4-6-15(16)18/h7-11H,3-6H2,1-2H3,(H2,16,18).
What are the key properties of 6-oxo-6-(4-propan-2-ylphenyl)hexanamide?
6-oxo-6-(4-propan-2-ylphenyl)hexanamide has a molecular weight of 247.34 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(4-propan-2-ylphenyl)hexanamide is sourced from PubChem (CID 174637388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).