N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide

C13H17NO2 — CID 50973533

IUPACN-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCC(=O)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C13H17NO2/c1-12(16)14(10-11-15)9-5-8-13-6-3-2-4-7-13/h2-8,15H,9-11H2,1H3/b8-5+
InChIKeyFUNANKPYNSHIEJ-VMPITWQZSA-N
MW219.28 g/mol
LogP1.54
Rot. Bonds5

About N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide

N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 50973533) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID50973533
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCC(=O)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C13H17NO2/c1-12(16)14(10-11-15)9-5-8-13-6-3-2-4-7-13/h2-8,15H,9-11H2,1H3/b8-5+
InChIKeyFUNANKPYNSHIEJ-VMPITWQZSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 50973533) is N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is CC(=O)N(C/C=C/c1ccccc1)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is FUNANKPYNSHIEJ-VMPITWQZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-12(16)14(10-11-15)9-5-8-13-6-3-2-4-7-13/h2-8,15H,9-11H2,1H3/b8-5+.
What are the key properties of N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 50973533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).