N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide

C22H28N2O5 — CID 55334035

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C22H28N2O5/c1-4-27-19-7-5-6-8-20(19)29-15-21(25)23-24-22(26)17-9-11-18(12-10-17)28-14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWBMZZTOYQGJMGO-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.35
Rot. Bonds10

About N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide (PubChem CID 55334035) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
PubChem CID55334035
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C22H28N2O5/c1-4-27-19-7-5-6-8-20(19)29-15-21(25)23-24-22(26)17-9-11-18(12-10-17)28-14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWBMZZTOYQGJMGO-UHFFFAOYSA-N
XLogP3.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.35
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

N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-butoxybenzohydrazide
CID 8714581
N'-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757276
N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-4-propoxybenzohydrazide
CID 8757275
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N'-[2-(2-methoxyphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952895
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide (CID 55334035) is N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is WBMZZTOYQGJMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-4-27-19-7-5-6-8-20(19)29-15-21(25)23-24-22(26)17-9-11-18(12-10-17)28-14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 55334035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).