N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide

C12H16N2O3 — CID 135509649

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C12H16N2O3/c1-2-3-4-12(17)14-13-8-9-5-6-10(15)7-11(9)16/h5-8,15-16H,2-4H2,1H3,(H,14,17)/b13-8+
InChIKeyUTABSRCUIZJNJU-MDWZMJQESA-N
MW236.27 g/mol
LogP1.74
Rot. Bonds5

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide (PubChem CID 135509649) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide
PubChem CID135509649
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C12H16N2O3/c1-2-3-4-12(17)14-13-8-9-5-6-10(15)7-11(9)16/h5-8,15-16H,2-4H2,1H3,(H,14,17)/b13-8+
InChIKeyUTABSRCUIZJNJU-MDWZMJQESA-N
XLogP1.74
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Mls002667267
CID 241689
N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
N'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
N-[1-(2,4-Dihydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135650458
N'-[1-(2,4-dihydroxyphenyl)ethylidene]octanohydrazide
CID 135401351
(2E)-2-benzylidene-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-4-hydroxybutanehydrazide
CID 135517036
2-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 137283404
3-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137290226
4-(4-hydroxyphenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137290274
4-phenyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]butanamide
CID 137303077

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide (CID 135509649) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide?
The InChIKey is UTABSRCUIZJNJU-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-3-4-12(17)14-13-8-9-5-6-10(15)7-11(9)16/h5-8,15-16H,2-4H2,1H3,(H,14,17)/b13-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide has a molecular weight of 236.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 135509649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).