N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide

C23H29BrN2O5 — CID 17139777

IUPACN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
SMILESCCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1
InChIInChI=1S/C23H29BrN2O5/c1-5-29-11-12-30-18-8-6-7-16(13-18)22(28)26-25-21(27)15-31-20-10-9-17(14-19(20)24)23(2,3)4/h6-10,13-14H,5,11-12,15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyRMJJGXJEEUOFCO-UHFFFAOYSA-N
MW493.40 g/mol
LogP4.00
Rot. Bonds9

About N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide (PubChem CID 17139777) has the molecular formula C23H29BrN2O5 and a molecular weight of 493.40 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
PubChem CID17139777
Molecular FormulaC23H29BrN2O5
Molecular Weight493.40 g/mol
Exact Mass492.13
IUPAC NameN'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide
SMILESCCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1
InChIInChI=1S/C23H29BrN2O5/c1-5-29-11-12-30-18-8-6-7-16(13-18)22(28)26-25-21(27)15-31-20-10-9-17(14-19(20)24)23(2,3)4/h6-10,13-14H,5,11-12,15H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyRMJJGXJEEUOFCO-UHFFFAOYSA-N
XLogP4.00
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 4982157
3-(2-ethoxyethoxy)-N'-(3-ethoxypropanoyl)benzohydrazide
CID 17139800
3-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17139694
N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
CID 17139798
2-bromo-N'-[3-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17139785
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141442
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957576
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17350309
N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17150251

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide (CID 17139777) is N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide is CCOCCOc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1.
What is the InChIKey of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide?
The InChIKey is RMJJGXJEEUOFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O5/c1-5-29-11-12-30-18-8-6-7-16(13-18)22(28)26-25-21(27)15-31-20-10-9-17(14-19(20)24)23(2,3)4/h6-10,13-14H,5,11-12,15H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide?
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide has a molecular weight of 493.40 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-(2-ethoxyethoxy)benzohydrazide is sourced from PubChem (CID 17139777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).