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

C23H30N2O4 — CID 17169459

IUPACN'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1C
InChIInChI=1S/C23H30N2O4/c1-15-11-12-18(13-16(15)2)29-17(3)22(27)25-24-21(26)14-28-20-10-8-7-9-19(20)23(4,5)6/h7-13,17H,14H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyBWVZKTKCGHJERO-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.59
Rot. Bonds6

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

N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide (PubChem CID 17169459) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
PubChem CID17169459
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1C
InChIInChI=1S/C23H30N2O4/c1-15-11-12-18(13-16(15)2)29-17(3)22(27)25-24-21(26)14-28-20-10-8-7-9-19(20)23(4,5)6/h7-13,17H,14H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyBWVZKTKCGHJERO-UHFFFAOYSA-N
XLogP3.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.59
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-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169454
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653812
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169378
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
CID 4943310
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377
N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 133252205
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide (CID 17169459) is N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1C.
What is the InChIKey of N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
The InChIKey is BWVZKTKCGHJERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15-11-12-18(13-16(15)2)29-17(3)22(27)25-24-21(26)14-28-20-10-8-7-9-19(20)23(4,5)6/h7-13,17H,14H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide?
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide has a molecular weight of 398.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide is sourced from PubChem (CID 17169459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).