2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide

C19H22N2O4 — CID 27693938

IUPAC2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(23)20-21-19(24)16-5-3-4-6-17(16)22/h3-10,13,22H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYTMVZFGFIMEXEZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.89
Rot. Bonds6

About 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide

2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide (PubChem CID 27693938) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
PubChem CID27693938
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(23)20-21-19(24)16-5-3-4-6-17(16)22/h3-10,13,22H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYTMVZFGFIMEXEZ-UHFFFAOYSA-N
XLogP2.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
2-chloro-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide
CID 4928170
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953226
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide (CID 27693938) is 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The InChIKey is YTMVZFGFIMEXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(23)20-21-19(24)16-5-3-4-6-17(16)22/h3-10,13,22H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 27693938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).