1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine

C22H25N5O3 — CID 169215069

IUPAC1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine
SMILESCCc1cc(NNc2ccc([N+](=O)[O-])cc2)c(OC)cc1NNc1ccc(C)cc1
InChIInChI=1S/C22H25N5O3/c1-4-16-13-21(26-24-18-9-11-19(12-10-18)27(28)29)22(30-3)14-20(16)25-23-17-7-5-15(2)6-8-17/h5-14,23-26H,4H2,1-3H3
InChIKeyYBXIKPCAVHSRRP-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.35
Rot. Bonds9

About 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine

1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine (PubChem CID 169215069) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine
PubChem CID169215069
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine
SMILESCCc1cc(NNc2ccc([N+](=O)[O-])cc2)c(OC)cc1NNc1ccc(C)cc1
InChIInChI=1S/C22H25N5O3/c1-4-16-13-21(26-24-18-9-11-19(12-10-18)27(28)29)22(30-3)14-20(16)25-23-17-7-5-15(2)6-8-17/h5-14,23-26H,4H2,1-3H3
InChIKeyYBXIKPCAVHSRRP-UHFFFAOYSA-N
XLogP5.35
TPSA100.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

4-methoxy-5-[2-(4-methylphenyl)hydrazinyl]-2-[2-(4-nitrophenyl)hydrazinyl]phenol;pent-1-ene;propane
CID 169215103
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
1-(2-methyl-4-nitrophenyl)-2-(4-nitrophenyl)hydrazine
CID 57020323
N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
CID 167080640
2-methoxy-1-N,1-N,5-trimethyl-4-N-(4-nitrophenyl)benzene-1,4-diamine
CID 91741665
butane;carbanide;(2,5-dioxopyrrolidin-1-yl) pentanoate;1-[2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]benzene-5-id-1-yl]-2-(4-nitrophenyl)hydrazine;uranium(2+)
CID 169215085
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
ethanol;1-methyl-4-nitrobenzene
CID 91088173
N-[(2-ethylphenyl)methyl]-2-methoxy-4-nitroaniline
CID 62391071
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
2,5-dimethoxybenzene-1,4-diamine;ethane;4-methylaniline;4-nitroaniline
CID 169183184
N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
CID 86081155

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine?
The IUPAC name of 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine (CID 169215069) is 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine.
What is the SMILES notation for 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine?
The canonical SMILES for 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine is CCc1cc(NNc2ccc([N+](=O)[O-])cc2)c(OC)cc1NNc1ccc(C)cc1.
What is the InChIKey of 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine?
The InChIKey is YBXIKPCAVHSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-4-16-13-21(26-24-18-9-11-19(12-10-18)27(28)29)22(30-3)14-20(16)25-23-17-7-5-15(2)6-8-17/h5-14,23-26H,4H2,1-3H3.
What are the key properties of 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine?
1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine has a molecular weight of 407.47 g/mol, XLogP of 5.35, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2-methoxy-4-[2-(4-methylphenyl)hydrazinyl]phenyl]-2-(4-nitrophenyl)hydrazine is sourced from PubChem (CID 169215069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).