N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide

C27H30N2O4 — CID 17046558

IUPACN'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H30N2O4/c1-19(33-22-16-14-21(15-17-22)27(2,3)4)25(30)28-29-26(31)23-12-8-9-13-24(23)32-18-20-10-6-5-7-11-20/h5-17,19H,18H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyGUMGIRZAAIZXBJ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.79
Rot. Bonds7

About N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide

N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide (PubChem CID 17046558) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
PubChem CID17046558
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H30N2O4/c1-19(33-22-16-14-21(15-17-22)27(2,3)4)25(30)28-29-26(31)23-12-8-9-13-24(23)32-18-20-10-6-5-7-11-20/h5-17,19H,18H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyGUMGIRZAAIZXBJ-UHFFFAOYSA-N
XLogP4.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4952061
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[2-(4-ethylphenoxy)propanoyl]-2-propoxybenzohydrazide
CID 4953512
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
CID 17150849
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide (CID 17046558) is N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide?
The InChIKey is GUMGIRZAAIZXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-19(33-22-16-14-21(15-17-22)27(2,3)4)25(30)28-29-26(31)23-12-8-9-13-24(23)32-18-20-10-6-5-7-11-20/h5-17,19H,18H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide?
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide has a molecular weight of 446.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide is sourced from PubChem (CID 17046558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).