N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide

C18H19N3O5 — CID 4811497

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C18H19N3O5/c1-11-4-5-12(2)16(8-11)26-10-17(22)19-20-18(23)14-6-7-15(21(24)25)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyYKYGWLNEQJPPDI-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.36
Rot. Bonds5

About N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide (PubChem CID 4811497) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
PubChem CID4811497
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1
InChIInChI=1S/C18H19N3O5/c1-11-4-5-12(2)16(8-11)26-10-17(22)19-20-18(23)14-6-7-15(21(24)25)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyYKYGWLNEQJPPDI-UHFFFAOYSA-N
XLogP2.36
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.36
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

3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide
CID 18272101
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 24538802
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 4811360

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide (CID 4811497) is N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide?
The InChIKey is YKYGWLNEQJPPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11-4-5-12(2)16(8-11)26-10-17(22)19-20-18(23)14-6-7-15(21(24)25)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide has a molecular weight of 357.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide is sourced from PubChem (CID 4811497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).