N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide

C22H26N2O4 — CID 4945083

IUPACN'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-5-14-27-18-10-6-16(7-11-18)21(26)24-23-20(25)15-28-19-12-8-17(9-13-19)22(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,23,25)(H,24,26)
InChIKeyRTMCFYFOWFSHLH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.39
Rot. Bonds7

About N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide

N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide (PubChem CID 4945083) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
PubChem CID4945083
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-5-14-27-18-10-6-16(7-11-18)21(26)24-23-20(25)15-28-19-12-8-17(9-13-19)22(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,23,25)(H,24,26)
InChIKeyRTMCFYFOWFSHLH-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925933
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 40621307
N'-(4-tert-butylbenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929142
2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide (CID 4945083) is N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
The InChIKey is RTMCFYFOWFSHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-14-27-18-10-6-16(7-11-18)21(26)24-23-20(25)15-28-19-12-8-17(9-13-19)22(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide?
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide has a molecular weight of 382.46 g/mol, XLogP of 3.39, 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)acetyl]-4-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 4945083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).