N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide

C15H19NO2 — CID 23007822

IUPACN-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
SMILESC=CCC(O)(CC=C)CNC(=O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-3-10-15(18,11-4-2)12-16-14(17)13-8-6-5-7-9-13/h3-9,18H,1-2,10-12H2,(H,16,17)
InChIKeyRAECUFIEOMLFTG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.30
Rot. Bonds7

About N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide

N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide (PubChem CID 23007822) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
PubChem CID23007822
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
SMILESC=CCC(O)(CC=C)CNC(=O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-3-10-15(18,11-4-2)12-16-14(17)13-8-6-5-7-9-13/h3-9,18H,1-2,10-12H2,(H,16,17)
InChIKeyRAECUFIEOMLFTG-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide?
The IUPAC name of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide (CID 23007822) is N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide is C=CCC(O)(CC=C)CNC(=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide?
The InChIKey is RAECUFIEOMLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-10-15(18,11-4-2)12-16-14(17)13-8-6-5-7-9-13/h3-9,18H,1-2,10-12H2,(H,16,17).
What are the key properties of N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide?
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide has a molecular weight of 245.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide is sourced from PubChem (CID 23007822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).