N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide

C13H17NO3 — CID 169465739

IUPACN-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(OCCO)cc1
InChIInChI=1S/C13H17NO3/c1-11(16)14-8-2-3-12-4-6-13(7-5-12)17-10-9-15/h2-7,15H,8-10H2,1H3,(H,14,16)
InChIKeyJDBKOCOIJPYUHX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.21
Rot. Bonds6

About N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide

N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide (PubChem CID 169465739) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
PubChem CID169465739
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(OCCO)cc1
InChIInChI=1S/C13H17NO3/c1-11(16)14-8-2-3-12-4-6-13(7-5-12)17-10-9-15/h2-7,15H,8-10H2,1H3,(H,14,16)
InChIKeyJDBKOCOIJPYUHX-UHFFFAOYSA-N
XLogP1.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
methyl 2-[4-(3-acetamidoprop-1-enyl)phenoxy]acetate
CID 169466323
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate
CID 146673178
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
CID 169466603
ethyl 2-[4-(3-acetamidoprop-1-enyl)phenyl]-2-oxoacetate
CID 169466378

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide (CID 169465739) is N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(OCCO)cc1.
What is the InChIKey of N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide?
The InChIKey is JDBKOCOIJPYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-11(16)14-8-2-3-12-4-6-13(7-5-12)17-10-9-15/h2-7,15H,8-10H2,1H3,(H,14,16).
What are the key properties of N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide?
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).