N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide

C17H19N3O4 — CID 135592767

IUPACN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H19N3O4/c1-24-10-4-9-18-16(22)17(23)20-19-11-14-13-6-3-2-5-12(13)7-8-15(14)21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H,18,22)(H,20,23)/b19-11+
InChIKeyMXGCQVLMBFHREY-YBFXNURJSA-N
MW329.36 g/mol
LogP1.15
Rot. Bonds6

About N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide

N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide (PubChem CID 135592767) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide
PubChem CID135592767
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H19N3O4/c1-24-10-4-9-18-16(22)17(23)20-19-11-14-13-6-3-2-5-12(13)7-8-15(14)21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H,18,22)(H,20,23)/b19-11+
InChIKeyMXGCQVLMBFHREY-YBFXNURJSA-N
XLogP1.15
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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
Morpholin-4-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135536243
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
Oxalic acid, bis[[(2-hydroxy-1-naphthyl)methylene]hydrazide]
CID 135408611
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pentanamide
CID 135509648
[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
N'-((2-hydroxy-1-naphthyl)methylene)-2-(trimethyl-5-azanyl)acetohydrazide
CID 414828

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide (CID 135592767) is N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The InChIKey is MXGCQVLMBFHREY-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-10-4-9-18-16(22)17(23)20-19-11-14-13-6-3-2-5-12(13)7-8-15(14)21/h2-3,5-8,11,21H,4,9-10H2,1H3,(H,18,22)(H,20,23)/b19-11+.
What are the key properties of N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide?
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide has a molecular weight of 329.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 135592767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).