N-[(3-hydroxyphenyl)methyl]hexanamide

C13H19NO2 — CID 61017300

IUPACN-[(3-hydroxyphenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-2-3-4-8-13(16)14-10-11-6-5-7-12(15)9-11/h5-7,9,15H,2-4,8,10H2,1H3,(H,14,16)
InChIKeySGKNACKOXHGYKL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds6

About N-[(3-hydroxyphenyl)methyl]hexanamide

N-[(3-hydroxyphenyl)methyl]hexanamide (PubChem CID 61017300) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]hexanamide
PubChem CID61017300
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-2-3-4-8-13(16)14-10-11-6-5-7-12(15)9-11/h5-7,9,15H,2-4,8,10H2,1H3,(H,14,16)
InChIKeySGKNACKOXHGYKL-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.59
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-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
6-[(3-hydroxyphenyl)methylamino]-6-oxohexanoic acid
CID 110483460
N-[[3-(chloromethyl)phenyl]methyl]octanamide
CID 114302418
3-[(nonanoylamino)methyl]benzoic acid
CID 60894775
N-benzylundecanamide
CID 5078198
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
CID 71458404
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
15-hydroxy-N-[[3-[(15-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321577

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]hexanamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]hexanamide (CID 61017300) is N-[(3-hydroxyphenyl)methyl]hexanamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]hexanamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]hexanamide is CCCCCC(=O)NCc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]hexanamide?
The InChIKey is SGKNACKOXHGYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-4-8-13(16)14-10-11-6-5-7-12(15)9-11/h5-7,9,15H,2-4,8,10H2,1H3,(H,14,16).
What are the key properties of N-[(3-hydroxyphenyl)methyl]hexanamide?
N-[(3-hydroxyphenyl)methyl]hexanamide has a molecular weight of 221.30 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]hexanamide is sourced from PubChem (CID 61017300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).