N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide

C17H17N3O5 — CID 5155944

IUPACN'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1O
InChIInChI=1S/C17H17N3O5/c1-11-7-8-16(14(9-11)20(23)24)25-10-17(22)19-18-12(2)13-5-3-4-6-15(13)21/h3-9,18,21H,2,10H2,1H3,(H,19,22)
InChIKeyFPZVXERWQUVXDJ-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.28
Rot. Bonds7

About N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide

N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide (PubChem CID 5155944) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
PubChem CID5155944
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
SMILESC=C(NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1O
InChIInChI=1S/C17H17N3O5/c1-11-7-8-16(14(9-11)20(23)24)25-10-17(22)19-18-12(2)13-5-3-4-6-15(13)21/h3-9,18,21H,2,10H2,1H3,(H,19,22)
InChIKeyFPZVXERWQUVXDJ-UHFFFAOYSA-N
XLogP2.28
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
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

5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
CID 17296562
1-(2-bromophenyl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 60657012
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N-(3-ethylpent-1-yn-3-yl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 18202165
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931287
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 17403987
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560744

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
The IUPAC name of N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide (CID 5155944) is N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide.
What is the SMILES notation for N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
The canonical SMILES for N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide is C=C(NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1O.
What is the InChIKey of N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
The InChIKey is FPZVXERWQUVXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-7-8-16(14(9-11)20(23)24)25-10-17(22)19-18-12(2)13-5-3-4-6-15(13)21/h3-9,18,21H,2,10H2,1H3,(H,19,22).
What are the key properties of N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide?
N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide has a molecular weight of 343.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-hydroxyphenyl)ethenyl]-2-(4-methyl-2-nitrophenoxy)acetohydrazide is sourced from PubChem (CID 5155944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).