N-(2-hydroxypropyl)-3-phenylprop-2-ynamide

C12H13NO2 — CID 43501186

IUPACN-(2-hydroxypropyl)-3-phenylprop-2-ynamide
SMILESCC(O)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(14)9-13-12(15)8-7-11-5-3-2-4-6-11/h2-6,10,14H,9H2,1H3,(H,13,15)
InChIKeyCFZODCNRZNYZLK-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.54
Rot. Bonds2

About N-(2-hydroxypropyl)-3-phenylprop-2-ynamide

N-(2-hydroxypropyl)-3-phenylprop-2-ynamide (PubChem CID 43501186) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-phenylprop-2-ynamide
PubChem CID43501186
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(2-hydroxypropyl)-3-phenylprop-2-ynamide
SMILESCC(O)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-10(14)9-13-12(15)8-7-11-5-3-2-4-6-11/h2-6,10,14H,9H2,1H3,(H,13,15)
InChIKeyCFZODCNRZNYZLK-UHFFFAOYSA-N
XLogP0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.54
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

N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
CID 75386334
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
CID 11805711
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
4-methyl-2-(3-phenylprop-2-ynoylamino)pentanoic acid
CID 24694027

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(2-hydroxypropyl)-3-phenylprop-2-ynamide (CID 43501186) is N-(2-hydroxypropyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-phenylprop-2-ynamide is CC(O)CNC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(2-hydroxypropyl)-3-phenylprop-2-ynamide?
The InChIKey is CFZODCNRZNYZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10(14)9-13-12(15)8-7-11-5-3-2-4-6-11/h2-6,10,14H,9H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxypropyl)-3-phenylprop-2-ynamide?
N-(2-hydroxypropyl)-3-phenylprop-2-ynamide has a molecular weight of 203.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 43501186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).