3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

C20H24N2O4 — CID 17149890

IUPAC3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-4-15(3)26-18-7-5-6-16(12-18)20(24)22-21-19(23)13-25-17-10-8-14(2)9-11-17/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySLIONMTUCXMDBC-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.01
Rot. Bonds7

About 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide

3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (PubChem CID 17149890) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
PubChem CID17149890
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C20H24N2O4/c1-4-15(3)26-18-7-5-6-16(12-18)20(24)22-21-19(23)13-25-17-10-8-14(2)9-11-17/h5-12,15H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySLIONMTUCXMDBC-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'}

Analyze 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17149910
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
3-butan-2-yloxy-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17150185
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(4-propan-2-ylphenoxy)acetyl]-3-propoxybenzohydrazide
CID 4960138
3-butoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4956704
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-butan-2-yloxybenzohydrazide
CID 17141421
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide (CID 17149890) is 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide is CCC(C)Oc1cccc(C(=O)NNC(=O)COc2ccc(C)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is SLIONMTUCXMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-15(3)26-18-7-5-6-16(12-18)20(24)22-21-19(23)13-25-17-10-8-14(2)9-11-17/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-(4-methylphenoxy)acetyl]benzohydrazide?
3-butan-2-yloxy-N'-[2-(4-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-(4-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17149890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).