N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide

C21H25N3O4 — CID 126003683

IUPACN-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H25N3O4/c1-21(2,3)23-19(25)14-27-18-11-9-16(10-12-18)13-22-24-20(26)15-28-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,23,25)(H,24,26)/b22-13-
InChIKeyQMHNOWFOCCVXJS-XKZIYDEJSA-N
MW383.45 g/mol
LogP2.51
Rot. Bonds8

About N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide

N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 126003683) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID126003683
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H25N3O4/c1-21(2,3)23-19(25)14-27-18-11-9-16(10-12-18)13-22-24-20(26)15-28-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,23,25)(H,24,26)/b22-13-
InChIKeyQMHNOWFOCCVXJS-XKZIYDEJSA-N
XLogP2.51
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
N-[(4-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604431
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-(4-tert-butylphenoxy)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
CID 6901085
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 1282390
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189783
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide (CID 126003683) is N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is QMHNOWFOCCVXJS-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-21(2,3)23-19(25)14-27-18-11-9-16(10-12-18)13-22-24-20(26)15-28-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,23,25)(H,24,26)/b22-13-.
What are the key properties of N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide?
N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126003683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).