3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide

C22H28N2O5 — CID 24538750

IUPAC3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(C)C
InChIInChI=1S/C22H28N2O5/c1-5-27-20-12-17(9-10-19(20)29-13-15(2)3)22(26)24-23-21(25)14-28-18-8-6-7-16(4)11-18/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBROLSUKDXJEVTG-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.27
Rot. Bonds9

About 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide

3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (PubChem CID 24538750) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
PubChem CID24538750
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(C)C
InChIInChI=1S/C22H28N2O5/c1-5-27-20-12-17(9-10-19(20)29-13-15(2)3)22(26)24-23-21(25)14-28-18-8-6-7-16(4)11-18/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBROLSUKDXJEVTG-UHFFFAOYSA-N
XLogP3.27
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide
CID 9276247
3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 24538794
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
CID 9476382
N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4946159
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
N'-[2-(4-bromophenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140443
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide (CID 24538750) is 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is CCOc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(C)C.
What is the InChIKey of 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is BROLSUKDXJEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-5-27-20-12-17(9-10-19(20)29-13-15(2)3)22(26)24-23-21(25)14-28-18-8-6-7-16(4)11-18/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide?
3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 24538750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).