N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide

C16H18N2O2 — CID 135509648

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-2-3-8-16(20)18-17-11-14-13-7-5-4-6-12(13)9-10-15(14)19/h4-7,9-11,19H,2-3,8H2,1H3,(H,18,20)/b17-11+
InChIKeyXJEORCBNVGOXTQ-GZTJUZNOSA-N
MW270.33 g/mol
LogP3.19
Rot. Bonds5

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide (PubChem CID 135509648) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
PubChem CID135509648
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-2-3-8-16(20)18-17-11-14-13-7-5-4-6-12(13)9-10-15(14)19/h4-7,9-11,19H,2-3,8H2,1H3,(H,18,20)/b17-11+
InChIKeyXJEORCBNVGOXTQ-GZTJUZNOSA-N
XLogP3.19
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
2-Hydroxy-1-naphthylaldehyde 3-fluorobenzoylhydrazone
CID 135412822
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
4-hydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400287
Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400301
N'-[(2-hydroxy-1-naphthyl)methylene]-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458990
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
Benzoic acid, 4-(1,1-dimethylethyl)-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 135459006
(E)-N-Hydroxy-7-(2-((2-hydroxynaphthalen-1-yl)methylene)hydrazinyl)-7-oxoheptanamide
CID 135922679
2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837470

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide (CID 135509648) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide?
The InChIKey is XJEORCBNVGOXTQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-3-8-16(20)18-17-11-14-13-7-5-4-6-12(13)9-10-15(14)19/h4-7,9-11,19H,2-3,8H2,1H3,(H,18,20)/b17-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide has a molecular weight of 270.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide is sourced from PubChem (CID 135509648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).