2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide

C17H18N4O5 — CID 126393565

IUPAC2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C17H18N4O5/c1-25-15-9-16(26-2)14(21(23)24)8-12(15)10-19-20-17(22)11-18-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3,(H,20,22)/b19-10-
InChIKeyYTKXEHANLKNASY-GRSHGNNSSA-N
MW358.35 g/mol
LogP2.17
Rot. Bonds8

About 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide

2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 126393565) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID126393565
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)CNc1ccccc1
InChIInChI=1S/C17H18N4O5/c1-25-15-9-16(26-2)14(21(23)24)8-12(15)10-19-20-17(22)11-18-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3,(H,20,22)/b19-10-
InChIKeyYTKXEHANLKNASY-GRSHGNNSSA-N
XLogP2.17
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 6110543
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
4-chloro-N-[2-[2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3330849
2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
CID 136713274
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053
N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 4086824
2-anilino-N-[(4-chloro-3-nitrophenyl)methylideneamino]acetamide
CID 679045
N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 98097976
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506679
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-methoxyanilino)acetamide
CID 135725870
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6897427
N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135831238

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide (CID 126393565) is 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide is COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is YTKXEHANLKNASY-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-25-15-9-16(26-2)14(21(23)24)8-12(15)10-19-20-17(22)11-18-13-6-4-3-5-7-13/h3-10,18H,11H2,1-2H3,(H,20,22)/b19-10-.
What are the key properties of 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide?
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 358.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126393565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).