2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide

C22H26Br2N2O4 — CID 17150806

IUPAC2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C22H26Br2N2O4/c1-4-14(3)16-8-6-7-9-19(16)30-18(5-2)22(28)26-25-21(27)13-29-20-11-10-15(23)12-17(20)24/h6-12,14,18H,4-5,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyRWTWJUKMNILMHR-UHFFFAOYSA-N
MW542.27 g/mol
LogP5.11
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide

2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide (PubChem CID 17150806) has the molecular formula C22H26Br2N2O4 and a molecular weight of 542.27 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
PubChem CID17150806
Molecular FormulaC22H26Br2N2O4
Molecular Weight542.27 g/mol
Exact Mass540.03
IUPAC Name2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C22H26Br2N2O4/c1-4-14(3)16-8-6-7-9-19(16)30-18(5-2)22(28)26-25-21(27)13-29-20-11-10-15(23)12-17(20)24/h6-12,14,18H,4-5,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyRWTWJUKMNILMHR-UHFFFAOYSA-N
XLogP5.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.27
LogP ≤ 55.11
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-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide
CID 17150750
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
2-(2-butan-2-ylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)propanehydrazide
CID 17130032
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073519
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2,4-dibromophenoxy)propanamide
CID 40736855
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
CID 17150849
5-bromo-2-[2-(2-butan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854377
2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 17129998
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928809

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide (CID 17150806) is 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide is CCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide?
The InChIKey is RWTWJUKMNILMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Br2N2O4/c1-4-14(3)16-8-6-7-9-19(16)30-18(5-2)22(28)26-25-21(27)13-29-20-11-10-15(23)12-17(20)24/h6-12,14,18H,4-5,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide?
2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide has a molecular weight of 542.27 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 17150806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).