N-(3-hydroxyphenyl)hex-5-ynamide

C12H13NO2 — CID 146294114

IUPACN-(3-hydroxyphenyl)hex-5-ynamide
SMILESC#CCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H13NO2/c1-2-3-4-8-12(15)13-10-6-5-7-11(14)9-10/h1,5-7,9,14H,3-4,8H2,(H,13,15)
InChIKeyJHHNZAKOYOXYRI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.13
Rot. Bonds4

About N-(3-hydroxyphenyl)hex-5-ynamide

N-(3-hydroxyphenyl)hex-5-ynamide (PubChem CID 146294114) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)hex-5-ynamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)hex-5-ynamide
PubChem CID146294114
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(3-hydroxyphenyl)hex-5-ynamide
SMILESC#CCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H13NO2/c1-2-3-4-8-12(15)13-10-6-5-7-11(14)9-10/h1,5-7,9,14H,3-4,8H2,(H,13,15)
InChIKeyJHHNZAKOYOXYRI-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-(3-hydroxyphenyl)-4-phenylsulfanylbutanamide
CID 129189701
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
CID 114028588
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488
N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
CID 110487035
6-(3-ethynylanilino)-6-oxohexanoic acid
CID 43529234
N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide
CID 87370028
N-(2-methyl-4-pyridinyl)hept-6-ynamide
CID 123868405

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)hex-5-ynamide?
The IUPAC name of N-(3-hydroxyphenyl)hex-5-ynamide (CID 146294114) is N-(3-hydroxyphenyl)hex-5-ynamide.
What is the SMILES notation for N-(3-hydroxyphenyl)hex-5-ynamide?
The canonical SMILES for N-(3-hydroxyphenyl)hex-5-ynamide is C#CCCCC(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)hex-5-ynamide?
The InChIKey is JHHNZAKOYOXYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-4-8-12(15)13-10-6-5-7-11(14)9-10/h1,5-7,9,14H,3-4,8H2,(H,13,15).
What are the key properties of N-(3-hydroxyphenyl)hex-5-ynamide?
N-(3-hydroxyphenyl)hex-5-ynamide has a molecular weight of 203.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)hex-5-ynamide is sourced from PubChem (CID 146294114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).