N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide

C11H14N2O4 — CID 5021089

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
SMILESO=C(CCCO)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C11H14N2O4/c14-5-1-2-11(17)13-12-7-8-3-4-9(15)10(16)6-8/h3-4,6-7,14-16H,1-2,5H2,(H,13,17)
InChIKeyCLFWTPYZQXDXRX-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.32
Rot. Bonds5

About N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide

N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide (PubChem CID 5021089) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
PubChem CID5021089
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
SMILESO=C(CCCO)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C11H14N2O4/c14-5-1-2-11(17)13-12-7-8-3-4-9(15)10(16)6-8/h3-4,6-7,14-16H,1-2,5H2,(H,13,17)
InChIKeyCLFWTPYZQXDXRX-UHFFFAOYSA-N
XLogP0.32
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 135435759
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 137045313
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 135614205

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide (CID 5021089) is N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide is O=C(CCCO)NN=Cc1ccc(O)c(O)c1.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
The InChIKey is CLFWTPYZQXDXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-5-1-2-11(17)13-12-7-8-3-4-9(15)10(16)6-8/h3-4,6-7,14-16H,1-2,5H2,(H,13,17).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide has a molecular weight of 238.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide is sourced from PubChem (CID 5021089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).