3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide

C21H26N2O4 — CID 17149863

IUPAC3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-5-16(4)27-18-8-6-7-17(12-18)21(25)23-22-20(24)13-26-19-10-14(2)9-15(3)11-19/h6-12,16H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWFTPOEDSJZNFTJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.32
Rot. Bonds7

About 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide

3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 17149863) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID17149863
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
SMILESCCC(C)Oc1cccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O4/c1-5-16(4)27-18-8-6-7-17(12-18)21(25)23-22-20(24)13-26-19-10-14(2)9-15(3)11-19/h6-12,16H,5,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyWFTPOEDSJZNFTJ-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.32
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-(4-methylphenoxy)acetyl]benzohydrazide
CID 17149890
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17149910
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
CID 26259356
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
3-butan-2-yloxy-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 17150185
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide (CID 17149863) is 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide is CCC(C)Oc1cccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is WFTPOEDSJZNFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-16(4)27-18-8-6-7-17(12-18)21(25)23-22-20(24)13-26-19-10-14(2)9-15(3)11-19/h6-12,16H,5,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide?
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.32, 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-(3,5-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17149863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).