N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide

C20H23N3O6 — CID 4931287

IUPACN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O6/c1-13(2)15-9-8-14(3)10-18(15)29-12-20(25)22-21-19(24)11-28-17-7-5-4-6-16(17)23(26)27/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYCPFHXUQLOPPEV-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.63
Rot. Bonds8

About N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide (PubChem CID 4931287) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
PubChem CID4931287
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O6/c1-13(2)15-9-8-14(3)10-18(15)29-12-20(25)22-21-19(24)11-28-17-7-5-4-6-16(17)23(26)27/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyYCPFHXUQLOPPEV-UHFFFAOYSA-N
XLogP2.63
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.63
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

(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206084
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944233
N-(4-methoxy-3,5-dinitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17050385
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550
N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17101923
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
3-(3-methylphenoxy)-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 43005484
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158
N'-[2-(3-methylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 4944192

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide?
The IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide (CID 4931287) is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide?
The canonical SMILES for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide?
The InChIKey is YCPFHXUQLOPPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-13(2)15-9-8-14(3)10-18(15)29-12-20(25)22-21-19(24)11-28-17-7-5-4-6-16(17)23(26)27/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide?
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide has a molecular weight of 401.42 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide is sourced from PubChem (CID 4931287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).