2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide

C17H17N3O6 — CID 4931201

IUPAC2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O6/c1-25-13-8-6-12(7-9-13)10-16(21)18-19-17(22)11-26-15-5-3-2-4-14(15)20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRPFXNWAZTQVLOT-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.37
Rot. Bonds7

About 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide

2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide (PubChem CID 4931201) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
PubChem CID4931201
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O6/c1-25-13-8-6-12(7-9-13)10-16(21)18-19-17(22)11-26-15-5-3-2-4-14(15)20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRPFXNWAZTQVLOT-UHFFFAOYSA-N
XLogP1.37
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 46446745
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466889
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide (CID 4931201) is 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide is COc1ccc(CC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide?
The InChIKey is RPFXNWAZTQVLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-25-13-8-6-12(7-9-13)10-16(21)18-19-17(22)11-26-15-5-3-2-4-14(15)20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide?
2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide has a molecular weight of 359.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 4931201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).