N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide

C20H23N3O5 — CID 17093334

IUPACN'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide
SMILESCCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O5/c1-4-20(2,3)14-9-11-15(12-10-14)28-13-18(24)21-22-19(25)16-7-5-6-8-17(16)23(26)27/h5-12H,4,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUIYNJZLKKFPMES-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.12
Rot. Bonds7

About N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide

N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide (PubChem CID 17093334) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide
PubChem CID17093334
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide
SMILESCCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O5/c1-4-20(2,3)14-9-11-15(12-10-14)28-13-18(24)21-22-19(25)16-7-5-6-8-17(16)23(26)27/h5-12H,4,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUIYNJZLKKFPMES-UHFFFAOYSA-N
XLogP3.12
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.12
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-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4512739
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581
N-ethyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093296
2-nitro-N-[[(2-phenoxyacetyl)amino]carbamothioyl]benzamide
CID 3469551
2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
CID 2787302
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-nitrobenzamide
CID 3138382
N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-nitrobenzamide
CID 4923804
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]hexanehydrazide
CID 17093425
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
1-(2-hydroxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanone
CID 71616954

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide?
The IUPAC name of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide (CID 17093334) is N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide?
The canonical SMILES for N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide is CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide?
The InChIKey is UIYNJZLKKFPMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-4-20(2,3)14-9-11-15(12-10-14)28-13-18(24)21-22-19(25)16-7-5-6-8-17(16)23(26)27/h5-12H,4,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide?
N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-2-nitrobenzohydrazide is sourced from PubChem (CID 17093334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).