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

C13H18N2O3 — CID 2317832

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-2-3-4-5-13(18)15-14-9-10-6-7-11(16)12(17)8-10/h6-9,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyHMDQCYQAYHOZPQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.13
Rot. Bonds6

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

N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide (PubChem CID 2317832) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
PubChem CID2317832
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
SMILESCCCCCC(=O)NN=Cc1ccc(O)c(O)c1
InChIInChI=1S/C13H18N2O3/c1-2-3-4-5-13(18)15-14-9-10-6-7-11(16)12(17)8-10/h6-9,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyHMDQCYQAYHOZPQ-UHFFFAOYSA-N
XLogP2.13
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 5021089
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 135435759
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide (CID 2317832) is N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide is CCCCCC(=O)NN=Cc1ccc(O)c(O)c1.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide?
The InChIKey is HMDQCYQAYHOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-4-5-13(18)15-14-9-10-6-7-11(16)12(17)8-10/h6-9,16-17H,2-5H2,1H3,(H,15,18).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide has a molecular weight of 250.30 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide is sourced from PubChem (CID 2317832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).