N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide

C13H15NO2 — CID 43500947

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide
SMILESCC(C)(CO)NC(=O)C#Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-13(2,10-15)14-12(16)9-8-11-6-4-3-5-7-11/h3-7,15H,10H2,1-2H3,(H,14,16)
InChIKeyXFAUWZDXDSTKOC-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.93
Rot. Bonds2

About N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide (PubChem CID 43500947) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide
PubChem CID43500947
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide
SMILESCC(C)(CO)NC(=O)C#Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-13(2,10-15)14-12(16)9-8-11-6-4-3-5-7-11/h3-7,15H,10H2,1-2H3,(H,14,16)
InChIKeyXFAUWZDXDSTKOC-UHFFFAOYSA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.93
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

Cinnamamide, N-(1,1-dimethyl-2-hydroxyethyl)-
CID 6434080
Cinnamamide, N-(2-hydroxy-1-methylethyl)-
CID 6434086
2-Methyl-2-[(3-phenyl-2-propyn-1-yl)amino]-1-propanol hydrochloride
CID 2960072
Cinnamamide, N-(2-hydroxy-1-hydroxymethyl-1-methylethyl)-
CID 6434085
Cinnamamide, N-(1,1-bis(hydroxymethyl)-2-hydroxyethyl)-
CID 6434092
2-Methyl-2-(3-phenylprop-2-ynylamino)propan-1-ol
CID 2215249
(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11608331
N-(4-phenylbut-1-en-3-yn-2-yl)acetamide
CID 72198119
N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide
CID 134846473
N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide
CID 134946496
5-(hydroxymethyl)-3,3-dimethyl-4-(2-phenylethynyl)-1H-pyrrol-2-one
CID 135017952

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide (CID 43500947) is N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide is CC(C)(CO)NC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide?
The InChIKey is XFAUWZDXDSTKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,10-15)14-12(16)9-8-11-6-4-3-5-7-11/h3-7,15H,10H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide has a molecular weight of 217.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 43500947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).