N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide

C14H17NO3 — CID 163634351

IUPACN-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide
SMILESC/C=C\C(=C/C)CONC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H17NO3/c1-3-5-11(4-2)10-18-15-14(17)12-6-8-13(16)9-7-12/h3-9,16H,10H2,1-2H3,(H,15,17)/b5-3-,11-4+
InChIKeyHYVNBAWMTBLHQC-DVJFJSKXSA-N
MW247.29 g/mol
LogP2.58
Rot. Bonds5

About N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide

N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide (PubChem CID 163634351) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide
PubChem CID163634351
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide
SMILESC/C=C\C(=C/C)CONC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H17NO3/c1-3-5-11(4-2)10-18-15-14(17)12-6-8-13(16)9-7-12/h3-9,16H,10H2,1-2H3,(H,15,17)/b5-3-,11-4+
InChIKeyHYVNBAWMTBLHQC-DVJFJSKXSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide?
The IUPAC name of N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide (CID 163634351) is N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide is C/C=C\C(=C/C)CONC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide?
The InChIKey is HYVNBAWMTBLHQC-DVJFJSKXSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-5-11(4-2)10-18-15-14(17)12-6-8-13(16)9-7-12/h3-9,16H,10H2,1-2H3,(H,15,17)/b5-3-,11-4+.
What are the key properties of N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide?
N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide has a molecular weight of 247.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-hydroxybenzamide is sourced from PubChem (CID 163634351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).