2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

C24H20N6O8 — CID 3514578

IUPAC2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H20N6O8/c31-23(15-37-21-9-5-19(6-10-21)29(33)34)27-25-13-17-1-2-18(4-3-17)14-26-28-24(32)16-38-22-11-7-20(8-12-22)30(35)36/h1-14H,15-16H2,(H,27,31)(H,28,32)
InChIKeyWOOIWLUYLWLMEF-UHFFFAOYSA-N
MW520.46 g/mol
LogP2.56
Rot. Bonds12

About 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (PubChem CID 3514578) has the molecular formula C24H20N6O8 and a molecular weight of 520.46 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
PubChem CID3514578
Molecular FormulaC24H20N6O8
Molecular Weight520.46 g/mol
Exact Mass520.13
IUPAC Name2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H20N6O8/c31-23(15-37-21-9-5-19(6-10-21)29(33)34)27-25-13-17-1-2-18(4-3-17)14-26-28-24(32)16-38-22-11-7-20(8-12-22)30(35)36/h1-14H,15-16H2,(H,27,31)(H,28,32)
InChIKeyWOOIWLUYLWLMEF-UHFFFAOYSA-N
XLogP2.56
TPSA187.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 7039350
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 5499286
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 4152230
2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4127721
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (CID 3514578) is 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The InChIKey is WOOIWLUYLWLMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O8/c31-23(15-37-21-9-5-19(6-10-21)29(33)34)27-25-13-17-1-2-18(4-3-17)14-26-28-24(32)16-38-22-11-7-20(8-12-22)30(35)36/h1-14H,15-16H2,(H,27,31)(H,28,32).
What are the key properties of 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide has a molecular weight of 520.46 g/mol, XLogP of 2.56, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 3514578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).