4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide

C16H15N3O2 — CID 3342882

IUPAC4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccncc2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-21-15-5-3-14(4-6-15)16(20)19-18-12-13-7-9-17-10-8-13/h2-10,12H,1,11H2,(H,19,20)
InChIKeyGNCJLWXHKIHRBH-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.41
Rot. Bonds6

About 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide

4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide (PubChem CID 3342882) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
PubChem CID3342882
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccncc2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-21-15-5-3-14(4-6-15)16(20)19-18-12-13-7-9-17-10-8-13/h2-10,12H,1,11H2,(H,19,20)
InChIKeyGNCJLWXHKIHRBH-UHFFFAOYSA-N
XLogP2.41
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6115360
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide?
The IUPAC name of 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide (CID 3342882) is 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide?
The canonical SMILES for 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide is C=CCOc1ccc(C(=O)NN=Cc2ccncc2)cc1.
What is the InChIKey of 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide?
The InChIKey is GNCJLWXHKIHRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-11-21-15-5-3-14(4-6-15)16(20)19-18-12-13-7-9-17-10-8-13/h2-10,12H,1,11H2,(H,19,20).
What are the key properties of 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide?
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide is sourced from PubChem (CID 3342882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).