2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide

C16H17N3O4 — CID 4682607

IUPAC2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
SMILESCc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C16H17N3O4/c1-11-3-8-15(9-12(11)2)23-10-16(20)18-17-13-4-6-14(7-5-13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeyHRUIMTXKUYGUNQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.73
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide

2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide (PubChem CID 4682607) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
PubChem CID4682607
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
SMILESCc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C16H17N3O4/c1-11-3-8-15(9-12(11)2)23-10-16(20)18-17-13-4-6-14(7-5-13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20)
InChIKeyHRUIMTXKUYGUNQ-UHFFFAOYSA-N
XLogP2.73
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19176250
2-(3,4-dimethylphenoxy)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 3974279
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 9314835
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide (CID 4682607) is 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide is Cc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide?
The InChIKey is HRUIMTXKUYGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-3-8-15(9-12(11)2)23-10-16(20)18-17-13-4-6-14(7-5-13)19(21)22/h3-9,17H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide?
2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide has a molecular weight of 315.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide is sourced from PubChem (CID 4682607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).