N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide

C17H18N4O5 — CID 135446562

IUPACN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C17H18N4O5/c1-11-3-5-13(6-4-11)18-10-16(22)20-19-9-12-7-14(21(24)25)17(23)15(8-12)26-2/h3-9,18,23H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyRWRXOCMTSDOKBX-OCKHKDLRSA-N
MW358.35 g/mol
LogP2.18
Rot. Bonds7

About N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 135446562) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID135446562
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC NameN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C17H18N4O5/c1-11-3-5-13(6-4-11)18-10-16(22)20-19-9-12-7-14(21(24)25)17(23)15(8-12)26-2/h3-9,18,23H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyRWRXOCMTSDOKBX-OCKHKDLRSA-N
XLogP2.18
TPSA126.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
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

N'-[(1E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135497963
N'-[(1E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylene]-2-(1-naphthylamino)propanohydrazide
CID 135497964
N'-[(E)-(2-Hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-[(2-methylphenyl)amino]propanehydrazide
CID 135517022
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-phenylacetohydrazide
CID 135466626
2-(2-(4-HO-3-Methoxybenzylidene)hydrazino)-N-(3-methoxyphenyl)-2-oxoacetamide
CID 135515660
(E)-N-[(E)-benzylideneamino]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
CID 66572446
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 73346082
(E)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 135617979
N'-[(1E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]-3-phenylpropanohydrazide
CID 135706720
(E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]prop-2-enamide
CID 135949811
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]prop-2-enamide
CID 136116847
(E)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 136242672

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 135446562) is N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide is COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is RWRXOCMTSDOKBX-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-11-3-5-13(6-4-11)18-10-16(22)20-19-9-12-7-14(21(24)25)17(23)15(8-12)26-2/h3-9,18,23H,10H2,1-2H3,(H,20,22)/b19-9-.
What are the key properties of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 358.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 135446562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).