N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide

C18H19N3O5 — CID 135685452

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide
SMILESCOc1cccc(CC(C)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H19N3O5/c1-12(8-13-4-3-5-15(9-13)26-2)18(23)20-19-11-14-6-7-17(22)16(10-14)21(24)25/h3-7,9-12,22H,8H2,1-2H3,(H,20,23)/b19-11+
InChIKeyOEKZQCZYZVCOIG-YBFXNURJSA-N
MW357.37 g/mol
LogP2.64
Rot. Bonds7

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide (PubChem CID 135685452) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide
PubChem CID135685452
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide
SMILESCOc1cccc(CC(C)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H19N3O5/c1-12(8-13-4-3-5-15(9-13)26-2)18(23)20-19-11-14-6-7-17(22)16(10-14)21(24)25/h3-7,9-12,22H,8H2,1-2H3,(H,20,23)/b19-11+
InChIKeyOEKZQCZYZVCOIG-YBFXNURJSA-N
XLogP2.64
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.64
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-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 126103968
2-ethyl-N,N'-bis[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 136803489
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156037
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135842138
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135606424
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135533086
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide (CID 135685452) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide is COc1cccc(CC(C)C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide?
The InChIKey is OEKZQCZYZVCOIG-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12(8-13-4-3-5-15(9-13)26-2)18(23)20-19-11-14-6-7-17(22)16(10-14)21(24)25/h3-7,9-12,22H,8H2,1-2H3,(H,20,23)/b19-11+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide has a molecular weight of 357.37 g/mol, XLogP of 2.64, 7 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-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 135685452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).