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

C17H18N4O6 — CID 135725870

IUPACN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H18N4O6/c1-26-13-5-3-4-12(8-13)18-10-16(22)20-19-9-11-6-14(21(24)25)17(23)15(7-11)27-2/h3-9,18,23H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyWOYAQKBYYIEXQZ-OCKHKDLRSA-N
MW374.35 g/mol
LogP1.88
Rot. Bonds8

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

N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide (PubChem CID 135725870) has the molecular formula C17H18N4O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide
PubChem CID135725870
Molecular FormulaC17H18N4O6
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H18N4O6/c1-26-13-5-3-4-12(8-13)18-10-16(22)20-19-9-11-6-14(21(24)25)17(23)15(7-11)27-2/h3-9,18,23H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyWOYAQKBYYIEXQZ-OCKHKDLRSA-N
XLogP1.88
TPSA135.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-methoxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135641791
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135830626
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 135827937
2-(2-tert-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135726553
2-(4-tert-butylphenyl)-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 137079031
3-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135673815
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-chloroanilino)acetamide
CID 136697648
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590226
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135659384
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135830610
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 135544833
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135852510

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide (CID 135725870) is N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide is COc1cccc(NCC(=O)N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide?
The InChIKey is WOYAQKBYYIEXQZ-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H18N4O6/c1-26-13-5-3-4-12(8-13)18-10-16(22)20-19-9-11-6-14(21(24)25)17(23)15(7-11)27-2/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-(3-methoxyanilino)acetamide?
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide has a molecular weight of 374.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide is sourced from PubChem (CID 135725870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).