N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide

C12H16N2O2 — CID 54777662

IUPACN-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
SMILESCCCC(=O)N/N=C(/C)c1cccc(O)c1
InChIInChI=1S/C12H16N2O2/c1-3-5-12(16)14-13-9(2)10-6-4-7-11(15)8-10/h4,6-8,15H,3,5H2,1-2H3,(H,14,16)/b13-9-
InChIKeyAVAQZZHSRYFNJC-LCYFTJDESA-N
MW220.27 g/mol
LogP2.03
Rot. Bonds4

About N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide

N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide (PubChem CID 54777662) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
PubChem CID54777662
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide
SMILESCCCC(=O)N/N=C(/C)c1cccc(O)c1
InChIInChI=1S/C12H16N2O2/c1-3-5-12(16)14-13-9(2)10-6-4-7-11(15)8-10/h4,6-8,15H,3,5H2,1-2H3,(H,14,16)/b13-9-
InChIKeyAVAQZZHSRYFNJC-LCYFTJDESA-N
XLogP2.03
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[1-(3-hydroxyphenyl)ethylideneamino]pentanediamide
CID 4204906
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
3-carbazol-9-yl-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]propanamide
CID 6311614
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
ethyl 4-[2-[(2Z)-2-[1-(3-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 54777648
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide?
The IUPAC name of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide (CID 54777662) is N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide.
What is the SMILES notation for N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide?
The canonical SMILES for N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide is CCCC(=O)N/N=C(/C)c1cccc(O)c1.
What is the InChIKey of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide?
The InChIKey is AVAQZZHSRYFNJC-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-5-12(16)14-13-9(2)10-6-4-7-11(15)8-10/h4,6-8,15H,3,5H2,1-2H3,(H,14,16)/b13-9-.
What are the key properties of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide?
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide has a molecular weight of 220.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]butanamide is sourced from PubChem (CID 54777662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).