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

C17H16N4O7 — CID 6871187

IUPAC2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESCOc1cc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H16N4O7/c1-27-15-7-12(14(21(25)26)9-16(15)28-2)8-17(22)19-18-10-11-3-5-13(6-4-11)20(23)24/h3-7,9-10H,8H2,1-2H3,(H,19,22)/b18-10+
InChIKeyGPTCPPIIVOSFQC-VCHYOVAHSA-N
MW388.34 g/mol
LogP2.21
Rot. Bonds8

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

2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 6871187) has the molecular formula C17H16N4O7 and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
PubChem CID6871187
Molecular FormulaC17H16N4O7
Molecular Weight388.34 g/mol
Exact Mass388.10
IUPAC Name2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESCOc1cc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H16N4O7/c1-27-15-7-12(14(21(25)26)9-16(15)28-2)8-17(22)19-18-10-11-3-5-13(6-4-11)20(23)24/h3-7,9-10H,8H2,1-2H3,(H,19,22)/b18-10+
InChIKeyGPTCPPIIVOSFQC-VCHYOVAHSA-N
XLogP2.21
TPSA146.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-Dimethoxy-2-nitrophenyl)-n-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 271292
N'-(3,4-dimethoxybenzylidene)-3-nitrobenzohydrazide
CID 6894837
N'~1~,N'~7~-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]heptanedihydrazide
CID 9658158
3-(3,4-dihydroxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propionamide
CID 56642883
N'-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-phenylacetohydrazide
CID 135466626
3,4-Dimethoxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6868893
2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 6883240
Benzo[1,3]dioxole-5-carboxylic acid (6-nitro-benzo[1,3]dioxol-5-ylmethylene)-hydrazide
CID 6900605
2-(3,4-dimethoxyphenyl)-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
CID 9676046
2-(4,5-dimethoxy-2-nitrophenyl)-N-[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]acetamide
CID 118709824
N-(N'-benzylcarbamimidoyl)-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
CID 118709827
N-[(E)-(5-chloro-8,9-dihydro-7H-benzo[7]annulen-6-yl)methylideneamino]-4,5-dimethoxy-2-nitrobenzamide
CID 118715790

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (CID 6871187) is 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is COc1cc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is GPTCPPIIVOSFQC-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O7/c1-27-15-7-12(14(21(25)26)9-16(15)28-2)8-17(22)19-18-10-11-3-5-13(6-4-11)20(23)24/h3-7,9-10H,8H2,1-2H3,(H,19,22)/b18-10+.
What are the key properties of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 388.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6871187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).