N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide

C25H23N5O10 — CID 19659217

IUPACN-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1
InChIInChI=1S/C25H23N5O10/c1-14(27-28-25(32)24(31)26-18-13-17(37-2)7-10-20(18)38-3)15-5-8-22(23(11-15)39-4)40-21-9-6-16(29(33)34)12-19(21)30(35)36/h5-13H,1-4H3,(H,26,31)(H,28,32)/b27-14+
InChIKeyQYSCPTGLDMKAFP-MZJWZYIUSA-N
MW553.48 g/mol
LogP3.80
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide

N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide (PubChem CID 19659217) has the molecular formula C25H23N5O10 and a molecular weight of 553.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide
PubChem CID19659217
Molecular FormulaC25H23N5O10
Molecular Weight553.48 g/mol
Exact Mass553.14
IUPAC NameN-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1
InChIInChI=1S/C25H23N5O10/c1-14(27-28-25(32)24(31)26-18-13-17(37-2)7-10-20(18)38-3)15-5-8-22(23(11-15)39-4)40-21-9-6-16(29(33)34)12-19(21)30(35)36/h5-13H,1-4H3,(H,26,31)(H,28,32)/b27-14+
InChIKeyQYSCPTGLDMKAFP-MZJWZYIUSA-N
XLogP3.80
TPSA193.76 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide
CID 19661726
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide
CID 4143596
[2-methoxy-4-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-nitrobenzoate
CID 4245077
N'-[1-(4-bromophenyl)ethylideneamino]-N-(2,5-dimethoxyphenyl)oxamide
CID 5048777
N-(2,4-dimethoxyphenyl)-N'-[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]oxamide
CID 3439234
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]propanamide
CID 19661623
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 40963712
N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
CID 3493756
N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 4176565
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide (CID 19659217) is N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide is COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide?
The InChIKey is QYSCPTGLDMKAFP-MZJWZYIUSA-N. The full InChI is InChI=1S/C25H23N5O10/c1-14(27-28-25(32)24(31)26-18-13-17(37-2)7-10-20(18)38-3)15-5-8-22(23(11-15)39-4)40-21-9-6-16(29(33)34)12-19(21)30(35)36/h5-13H,1-4H3,(H,26,31)(H,28,32)/b27-14+.
What are the key properties of N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide?
N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide has a molecular weight of 553.48 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N'-[(E)-1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19659217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).