N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide

C17H19N3O3 — CID 135536243

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H19N3O3/c21-16-6-5-13-3-1-2-4-14(13)15(16)11-18-19-17(22)12-20-7-9-23-10-8-20/h1-6,11,21H,7-10,12H2,(H,19,22)/b18-11+
InChIKeyDDUHHVSVZVKCPO-WOJGMQOQSA-N
MW313.36 g/mol
LogP1.33
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 135536243) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID135536243
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H19N3O3/c21-16-6-5-13-3-1-2-4-14(13)15(16)11-18-19-17(22)12-20-7-9-23-10-8-20/h1-6,11,21H,7-10,12H2,(H,19,22)/b18-11+
InChIKeyDDUHHVSVZVKCPO-WOJGMQOQSA-N
XLogP1.33
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
N'-[(2-hydroxy-1-naphthyl)methylene]-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135438745
US10196346, Example 4
CID 137136942
Acetic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135715601
Acetic acid, 2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 3348874
N-ethyl-2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoacetamide
CID 135588554
N-(2-Hydroxy-1-naphthylidene)-4-aminomorpholine
CID 135608186
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]morpholine-4-carbothioamide
CID 145979862
Oxalic acid, bis[[(2-hydroxy-1-naphthyl)methylene]hydrazide]
CID 135408611
[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422187
[2-[(2E)-2-[(2-hydroxy-1-naphthyl)methylene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium
CID 135488964
2-{(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl}-N-(3-methoxypropyl)-2-oxoacetamide
CID 135592767

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide (CID 135536243) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is DDUHHVSVZVKCPO-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16-6-5-13-3-1-2-4-14(13)15(16)11-18-19-17(22)12-20-7-9-23-10-8-20/h1-6,11,21H,7-10,12H2,(H,19,22)/b18-11+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 313.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 135536243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).