N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide

C22H28N2O4 — CID 17045712

IUPACN'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)13-14-27-18-11-9-17(10-12-18)21(25)23-24-22(26)19-7-5-6-8-20(19)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyIVMRFVZIFDGMDZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.97
Rot. Bonds8

About N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide

N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide (PubChem CID 17045712) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
PubChem CID17045712
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)13-14-27-18-11-9-17(10-12-18)21(25)23-24-22(26)19-7-5-6-8-20(19)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyIVMRFVZIFDGMDZ-UHFFFAOYSA-N
XLogP3.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.97
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

2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954816
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944053
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide (CID 17045712) is N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2OC(C)C)cc1.
What is the InChIKey of N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide?
The InChIKey is IVMRFVZIFDGMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)13-14-27-18-11-9-17(10-12-18)21(25)23-24-22(26)19-7-5-6-8-20(19)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide?
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 17045712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).