N-(2-hydroxy-3-phenylpropyl)hexanamide

C15H23NO2 — CID 111102787

IUPACN-(2-hydroxy-3-phenylpropyl)hexanamide
SMILESCCCCCC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-5-10-15(18)16-12-14(17)11-13-8-6-4-7-9-13/h4,6-9,14,17H,2-3,5,10-12H2,1H3,(H,16,18)
InChIKeyPVUSLLUQHSGUBB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.29
Rot. Bonds8

About N-(2-hydroxy-3-phenylpropyl)hexanamide

N-(2-hydroxy-3-phenylpropyl)hexanamide (PubChem CID 111102787) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)hexanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)hexanamide
PubChem CID111102787
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2-hydroxy-3-phenylpropyl)hexanamide
SMILESCCCCCC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-3-5-10-15(18)16-12-14(17)11-13-8-6-4-7-9-13/h4,6-9,14,17H,2-3,5,10-12H2,1H3,(H,16,18)
InChIKeyPVUSLLUQHSGUBB-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.29
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-benzylundecanamide
CID 5078198
2-(diethylamino)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102671
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2-benzylheptyl)-4-methylpentanamide
CID 176730327
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
4-[3-[(2-hydroxy-3-phenylpropyl)amino]-3-oxopropyl]benzoic acid
CID 119184094
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
N-(2-chloro-2-phenylethyl)decanamide
CID 114295700
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)hexanamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)hexanamide (CID 111102787) is N-(2-hydroxy-3-phenylpropyl)hexanamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)hexanamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)hexanamide is CCCCCC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)hexanamide?
The InChIKey is PVUSLLUQHSGUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-5-10-15(18)16-12-14(17)11-13-8-6-4-7-9-13/h4,6-9,14,17H,2-3,5,10-12H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)hexanamide?
N-(2-hydroxy-3-phenylpropyl)hexanamide has a molecular weight of 249.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)hexanamide is sourced from PubChem (CID 111102787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).