N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

C20H17N3O4 — CID 135411899

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1O
InChIInChI=1S/C20H17N3O4/c1-27-18-11-13(9-10-17(18)24)12-21-23-20(26)19(25)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12,24H,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyMVUXNMFYTFTTGS-CIAFOILYSA-N
MW363.37 g/mol
LogP2.64
Rot. Bonds4

About N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 135411899) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID135411899
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1O
InChIInChI=1S/C20H17N3O4/c1-27-18-11-13(9-10-17(18)24)12-21-23-20(26)19(25)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12,24H,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyMVUXNMFYTFTTGS-CIAFOILYSA-N
XLogP2.64
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

(E)-3-(2-(4-Hydroxy-3-methoxybenzylidene)hydrazinyl)quinoxalin-2(1H)-one
CID 135439684
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
N'-[(1E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylene]-2-(1-naphthylamino)propanohydrazide
CID 135497964
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604
N'-[(E)-(2-Hydroxynaphthalen-1-YL)methylidene]-2-[(4-methoxyphenyl)amino]propanehydrazide
CID 135829859
2-(Naphthalen-1-ylamino)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 9598262
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135678705
N-(3-{[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]carbonyl}phenyl)-2-methylbenzamide
CID 135688448
(E)-3-(3-Hydroxy-4-methoxy-phenyl)-N-naphthalen-1-yl-acrylamide
CID 45273912
1-Piperazineacetic acid, 4-phenyl-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588025
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588031
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3,4-dimethoxyphenyl)methylene)hydrazide
CID 9588034

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 135411899) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is MVUXNMFYTFTTGS-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-18-11-13(9-10-17(18)24)12-21-23-20(26)19(25)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12,24H,1H3,(H,22,25)(H,23,26)/b21-12+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 363.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 135411899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).