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

C13H17NO2 — CID 169465370

IUPACN-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(CCO)c1
InChIInChI=1S/C13H17NO2/c1-11(16)14-8-3-6-12-4-2-5-13(10-12)7-9-15/h2-6,10,15H,7-9H2,1H3,(H,14,16)
InChIKeyRFWINQFVVNXSSO-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.37
Rot. Bonds5

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

N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide (PubChem CID 169465370) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
PubChem CID169465370
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(CCO)c1
InChIInChI=1S/C13H17NO2/c1-11(16)14-8-3-6-12-4-2-5-13(10-12)7-9-15/h2-6,10,15H,7-9H2,1H3,(H,14,16)
InChIKeyRFWINQFVVNXSSO-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
methyl 2-[3-(4-hydroxybut-1-enyl)phenyl]acetate
CID 170477090
2-[3-(4-aminobut-1-enyl)phenyl]ethanol
CID 170486870
N-[3-[5-(hydroxymethyl)-3-pyridinyl]prop-2-enyl]acetamide
CID 169465196
N-[3-(3-isothiocyanatophenyl)prop-2-enyl]acetamide
CID 169465438
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide (CID 169465370) is N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc(CCO)c1.
What is the InChIKey of N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is RFWINQFVVNXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(16)14-8-3-6-12-4-2-5-13(10-12)7-9-15/h2-6,10,15H,7-9H2,1H3,(H,14,16).
What are the key properties of N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide?
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).