N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

C17H17N3O6 — CID 135685449

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C17H17N3O6/c1-11(26-14-6-4-13(5-7-14)20(23)24)17(22)19-18-10-12-3-8-15(21)16(9-12)25-2/h3-11,21H,1-2H3,(H,19,22)/b18-10+
InChIKeyFHYJSXHLBJCHNI-VCHYOVAHSA-N
MW359.34 g/mol
LogP2.23
Rot. Bonds7

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (PubChem CID 135685449) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
PubChem CID135685449
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C17H17N3O6/c1-11(26-14-6-4-13(5-7-14)20(23)24)17(22)19-18-10-12-3-8-15(21)16(9-12)25-2/h3-11,21H,1-2H3,(H,19,22)/b18-10+
InChIKeyFHYJSXHLBJCHNI-VCHYOVAHSA-N
XLogP2.23
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-5-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 9599642
(Z)-N'-(4-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135779768
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135439703
N-[(E)-(3-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5338204
2-{4-nitrophenoxy}-N'-(8-methoxy-2,3-dihydro-4H-chromen-4-ylidene)propanohydrazide
CID 6029866
N'-[(E)-{3-methoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}methylidene]-2-(4-nitrophenoxy)acetohydrazide
CID 9599539
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 135464691
(Z)-N'-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135779769
(Z)-N'-(2-hydroxy-3-methyl-5-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135845991
N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-phenoxyacetohydrazide
CID 6877204
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135401376
N'-[(1Z)-(4-hydroxy-3-nitrophenyl)methylene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135472784

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (CID 135685449) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is COc1cc(/C=N/NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The InChIKey is FHYJSXHLBJCHNI-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-11(26-14-6-4-13(5-7-14)20(23)24)17(22)19-18-10-12-3-8-15(21)16(9-12)25-2/h3-11,21H,1-2H3,(H,19,22)/b18-10+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide has a molecular weight of 359.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 135685449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).