N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide

C16H15N3O5 — CID 135466626

IUPACN-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15N3O5/c1-24-14-8-12(7-13(16(14)21)19(22)23)10-17-18-15(20)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,18,20)/b17-10+
InChIKeyVGYJWLIUJPWNLE-LICLKQGHSA-N
MW329.31 g/mol
LogP2.00
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135466626) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID135466626
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15N3O5/c1-24-14-8-12(7-13(16(14)21)19(22)23)10-17-18-15(20)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,18,20)/b17-10+
InChIKeyVGYJWLIUJPWNLE-LICLKQGHSA-N
XLogP2.00
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-(4-Hydroxy-3-methoxybenzylidene)-3-nitrobenzohydrazide
CID 86261405
4-Hydroxy-3-methoxy-5-nitrobenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 135412189
N'-(4-hydroxy-3-methoxy-2-nitrobenzylidene)-1,3-benzodioxole-5-carbohydrazide
CID 135426215
(E)-N'-(4-hydroxy-3-methoxy-2-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbohydrazide
CID 135683907
N'-(3-hydroxy-4-methoxybenzylidene)-3-nitrobenzohydrazide
CID 6868965
N'-(3,4-dimethoxybenzylidene)-3-nitrobenzohydrazide
CID 6894837
3-(3,4-dihydroxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propionamide
CID 56642883
methyl N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]carbamate
CID 135401288
[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]urea
CID 135460439
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 135464691
N'-[(1E)-(4-hydroxy-3,5-dimethoxyphenyl)methylene]-3-nitrobenzohydrazide
CID 135472787
2-hydroxy-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135613280

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 135466626) is N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide is COc1cc(/C=N/NC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is VGYJWLIUJPWNLE-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-24-14-8-12(7-13(16(14)21)19(22)23)10-17-18-15(20)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 329.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135466626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).