N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide

C20H23NO2 — CID 72790654

IUPACN-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide
SMILESCCCC=Cc1ccc(C(=O)Nc2ccccc2CCO)cc1
InChIInChI=1S/C20H23NO2/c1-2-3-4-7-16-10-12-18(13-11-16)20(23)21-19-9-6-5-8-17(19)14-15-22/h4-13,22H,2-3,14-15H2,1H3,(H,21,23)
InChIKeyHBIUDRSMXBMFNY-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.29
Rot. Bonds7

About N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide

N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide (PubChem CID 72790654) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide
PubChem CID72790654
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide
SMILESCCCC=Cc1ccc(C(=O)Nc2ccccc2CCO)cc1
InChIInChI=1S/C20H23NO2/c1-2-3-4-7-16-10-12-18(13-11-16)20(23)21-19-9-6-5-8-17(19)14-15-22/h4-13,22H,2-3,14-15H2,1H3,(H,21,23)
InChIKeyHBIUDRSMXBMFNY-UHFFFAOYSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3,3-dimethylbut-1-enyl]-N-[2-(2-hydroxyethyl)phenyl]benzamide
CID 11529895
N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 59811361
4-methyl-N-(2-pent-1-enylphenyl)benzamide
CID 71401621
N-ethyl-4-[(E)-pent-1-enyl]benzamide
CID 11644211
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
N-[2-(hexanoylsulfamoyl)phenyl]-4-[(E)-oct-1-enyl]benzamide
CID 18544135
N-(2-hydroxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811493
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
4-pent-1-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 73067043
4-(dimethylamino)-N-[2-(hydroxymethyl)phenyl]benzamide
CID 60653502
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide (CID 72790654) is N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide is CCCC=Cc1ccc(C(=O)Nc2ccccc2CCO)cc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide?
The InChIKey is HBIUDRSMXBMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-3-4-7-16-10-12-18(13-11-16)20(23)21-19-9-6-5-8-17(19)14-15-22/h4-13,22H,2-3,14-15H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide?
N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide is sourced from PubChem (CID 72790654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).