N-[(4-hydroxyphenyl)methylideneamino]pentanamide

C12H16N2O2 — CID 4590132

IUPACN-[(4-hydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)NN=Cc1ccc(O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-3-4-12(16)14-13-9-10-5-7-11(15)8-6-10/h5-9,15H,2-4H2,1H3,(H,14,16)
InChIKeyXPQKPTNSLDYFEH-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.03
Rot. Bonds5

About N-[(4-hydroxyphenyl)methylideneamino]pentanamide

N-[(4-hydroxyphenyl)methylideneamino]pentanamide (PubChem CID 4590132) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]pentanamide
PubChem CID4590132
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)NN=Cc1ccc(O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-3-4-12(16)14-13-9-10-5-7-11(15)8-6-10/h5-9,15H,2-4H2,1H3,(H,14,16)
InChIKeyXPQKPTNSLDYFEH-UHFFFAOYSA-N
XLogP2.03
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': '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

N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
4-[(octanoylhydrazinylidene)methyl]benzoic acid
CID 171131907

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]pentanamide (CID 4590132) is N-[(4-hydroxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]pentanamide is CCCCC(=O)NN=Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]pentanamide?
The InChIKey is XPQKPTNSLDYFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-4-12(16)14-13-9-10-5-7-11(15)8-6-10/h5-9,15H,2-4H2,1H3,(H,14,16).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]pentanamide?
N-[(4-hydroxyphenyl)methylideneamino]pentanamide has a molecular weight of 220.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 4590132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).