N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide

C14H15NO2 — CID 134846473

IUPACN-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide
SMILESC#C[C@H](O)[C@@H](/C=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C14H15NO2/c1-3-14(17)13(15-11(2)16)10-9-12-7-5-4-6-8-12/h1,4-10,13-14,17H,2H3,(H,15,16)/b10-9+/t13-,14+/m1/s1
InChIKeyFOAYURMYNVTBEN-HOQBHHMFSA-N
MW229.28 g/mol
LogP1.20
Rot. Bonds4

About N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide

N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide (PubChem CID 134846473) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide.

Molecular Properties

Compound NameN-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide
PubChem CID134846473
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide
SMILESC#C[C@H](O)[C@@H](/C=C/c1ccccc1)NC(C)=O
InChIInChI=1S/C14H15NO2/c1-3-14(17)13(15-11(2)16)10-9-12-7-5-4-6-8-12/h1,4-10,13-14,17H,2H3,(H,15,16)/b10-9+/t13-,14+/m1/s1
InChIKeyFOAYURMYNVTBEN-HOQBHHMFSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10648744
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CID 6434086
N-(1-(Hydroxymethyl)propyl)cinnamamide
CID 5801120
(R,S)-(2E)-N-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide
CID 15442907
(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 43419211
Cinnamamide, N-(2,3-dihydroxypropyl)-
CID 6252144
(E)-N-(2-hydroxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 43418501
(E)-N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 93041601
(E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 113247426
(E)-N-(2-hydroxybutyl)-3-phenylprop-2-enamide
CID 116242401
N-(2-hydroxy-3-phenylpropyl)acetamide
CID 15094684

Frequently Asked Questions

What is the IUPAC name of N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide?
The IUPAC name of N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide (CID 134846473) is N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide.
What is the SMILES notation for N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide?
The canonical SMILES for N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide is C#C[C@H](O)[C@@H](/C=C/c1ccccc1)NC(C)=O.
What is the InChIKey of N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide?
The InChIKey is FOAYURMYNVTBEN-HOQBHHMFSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-14(17)13(15-11(2)16)10-9-12-7-5-4-6-8-12/h1,4-10,13-14,17H,2H3,(H,15,16)/b10-9+/t13-,14+/m1/s1.
What are the key properties of N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide?
N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide is sourced from PubChem (CID 134846473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).