N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide

C27H38N2O4 — CID 17169454

IUPACN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1C
InChIInChI=1S/C27H38N2O4/c1-17-10-12-21(14-18(17)2)33-19(3)25(31)29-28-24(30)16-32-23-13-11-20(26(4,5)6)15-22(23)27(7,8)9/h10-15,19H,16H2,1-9H3,(H,28,30)(H,29,31)
InChIKeyTVMVBVZGNKUVAW-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.89
Rot. Bonds6

About N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide

N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide (PubChem CID 17169454) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
PubChem CID17169454
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1C
InChIInChI=1S/C27H38N2O4/c1-17-10-12-21(14-18(17)2)33-19(3)25(31)29-28-24(30)16-32-23-13-11-20(26(4,5)6)15-22(23)27(7,8)9/h10-15,19H,16H2,1-9H3,(H,28,30)(H,29,31)
InChIKeyTVMVBVZGNKUVAW-UHFFFAOYSA-N
XLogP4.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.89
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

N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169459
4-[2-[2-(2,4-ditert-butylphenoxy)acetyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 17356767
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 4943032
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
3-bromo-N'-[2-(2,4-ditert-butylphenoxy)acetyl]-4-methylbenzohydrazide
CID 17356781
4-tert-butyl-N-[(2S)-1-[2-[2-(3,4-dimethylphenoxy)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 55944327
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)propanehydrazide
CID 4951428
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
CID 17356770
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide (CID 17169454) is N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1C.
What is the InChIKey of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
The InChIKey is TVMVBVZGNKUVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-17-10-12-21(14-18(17)2)33-19(3)25(31)29-28-24(30)16-32-23-13-11-20(26(4,5)6)15-22(23)27(7,8)9/h10-15,19H,16H2,1-9H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide has a molecular weight of 454.61 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide is sourced from PubChem (CID 17169454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).