3-hydroxy-2-phenyloctanamide

C14H21NO2 — CID 70389819

IUPAC3-hydroxy-2-phenyloctanamide
SMILESCCCCCC(O)C(C(N)=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-3-5-10-12(16)13(14(15)17)11-8-6-4-7-9-11/h4,6-9,12-13,16H,2-3,5,10H2,1H3,(H2,15,17)
InChIKeyRTZPFXDICPXJCT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds7

About 3-hydroxy-2-phenyloctanamide

3-hydroxy-2-phenyloctanamide (PubChem CID 70389819) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-hydroxy-2-phenyloctanamide.

Molecular Properties

Compound Name3-hydroxy-2-phenyloctanamide
PubChem CID70389819
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-hydroxy-2-phenyloctanamide
SMILESCCCCCC(O)C(C(N)=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-3-5-10-12(16)13(14(15)17)11-8-6-4-7-9-11/h4,6-9,12-13,16H,2-3,5,10H2,1H3,(H2,15,17)
InChIKeyRTZPFXDICPXJCT-UHFFFAOYSA-N
XLogP2.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
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

2-phenylheptanamide
CID 67221214
(3S,4S)-4-hydroxy-3-phenylheptan-2-one
CID 95004321
methyl (2S,3S)-3-hydroxy-2-[(1S)-1-phenylethyl]octanoate
CID 15605723
(1R)-1-phenyloctan-1-ol
CID 12794259
iodo 3-methyl-2-phenyloctanoate
CID 143248949
ethyl 2-[hydroxy(phenyl)methyl]octanoate
CID 101333316
methyl 2-phenylheptanoate
CID 143443478
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
(2S,3R)-3-methoxy-2-phenyl-1-trimethylsilyldecan-1-one
CID 101192098
benzyl 2-phenylheptanoate
CID 175026183
(2R)-2-phenylheptan-3-ol
CID 91322845
aniline;hexane-1,1-diol
CID 174683657

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyloctanamide?
The IUPAC name of 3-hydroxy-2-phenyloctanamide (CID 70389819) is 3-hydroxy-2-phenyloctanamide.
What is the SMILES notation for 3-hydroxy-2-phenyloctanamide?
The canonical SMILES for 3-hydroxy-2-phenyloctanamide is CCCCCC(O)C(C(N)=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-phenyloctanamide?
The InChIKey is RTZPFXDICPXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-5-10-12(16)13(14(15)17)11-8-6-4-7-9-11/h4,6-9,12-13,16H,2-3,5,10H2,1H3,(H2,15,17).
What are the key properties of 3-hydroxy-2-phenyloctanamide?
3-hydroxy-2-phenyloctanamide has a molecular weight of 235.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyloctanamide is sourced from PubChem (CID 70389819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).