3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

C20H24N2O4 — CID 17149889

IUPAC3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccccc2C)c1
InChIInChI=1S/C20H24N2O4/c1-4-15(3)26-17-10-7-9-16(12-17)20(24)22-21-19(23)13-25-18-11-6-5-8-14(18)2/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZCFOAIGPXRVHGC-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.01
Rot. Bonds7

About 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (PubChem CID 17149889) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
PubChem CID17149889
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccccc2C)c1
InChIInChI=1S/C20H24N2O4/c1-4-15(3)26-17-10-7-9-16(12-17)20(24)22-21-19(23)13-25-18-11-6-5-8-14(18)2/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZCFOAIGPXRVHGC-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.01
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

3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890
3-(3-methylbutoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 4981813
3-(2-ethoxyethoxy)-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17139730
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
3-butan-2-yloxy-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17150185
3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 8696563
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17149910
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140749
3-(difluoromethoxy)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7719984

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (CID 17149889) is 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is CCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccccc2C)c1.
What is the InChIKey of 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is ZCFOAIGPXRVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-15(3)26-17-10-7-9-16(12-17)20(24)22-21-19(23)13-25-18-11-6-5-8-14(18)2/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 356.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17149889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).