6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide

C21H35NO2 — CID 154978899

IUPAC6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
SMILESCC(C)(O)CCCCC(=O)NCCCCCCCc1ccccc1
InChIInChI=1S/C21H35NO2/c1-21(2,24)17-11-10-16-20(23)22-18-12-5-3-4-7-13-19-14-8-6-9-15-19/h6,8-9,14-15,24H,3-5,7,10-13,16-18H2,1-2H3,(H,22,23)
InChIKeyCEYYTKMTCUUVFF-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.63
Rot. Bonds13

About 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide

6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide (PubChem CID 154978899) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide.

Molecular Properties

Compound Name6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
PubChem CID154978899
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
SMILESCC(C)(O)CCCCC(=O)NCCCCCCCc1ccccc1
InChIInChI=1S/C21H35NO2/c1-21(2,24)17-11-10-16-20(23)22-18-12-5-3-4-7-13-19-14-8-6-9-15-19/h6,8-9,14-15,24H,3-5,7,10-13,16-18H2,1-2H3,(H,22,23)
InChIKeyCEYYTKMTCUUVFF-UHFFFAOYSA-N
XLogP4.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylbutyl)hexanamide
CID 4985988
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
2-methyl-6-phenylhexan-2-ol
CID 12716611
N-ethyl-6-phenylhexanamide
CID 70953257
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-methyl-9-phenylnonanamide
CID 118028570
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide?
The IUPAC name of 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide (CID 154978899) is 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide.
What is the SMILES notation for 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide?
The canonical SMILES for 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide is CC(C)(O)CCCCC(=O)NCCCCCCCc1ccccc1.
What is the InChIKey of 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide?
The InChIKey is CEYYTKMTCUUVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-21(2,24)17-11-10-16-20(23)22-18-12-5-3-4-7-13-19-14-8-6-9-15-19/h6,8-9,14-15,24H,3-5,7,10-13,16-18H2,1-2H3,(H,22,23).
What are the key properties of 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide?
6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide has a molecular weight of 333.52 g/mol, XLogP of 4.63, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide is sourced from PubChem (CID 154978899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).