4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide

C22H28N2O3 — CID 4930158

IUPAC4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)14-27-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRCRAMWJHXUJVDC-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.09
Rot. Bonds5

About 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide

4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (PubChem CID 4930158) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
PubChem CID4930158
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)14-27-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyRCRAMWJHXUJVDC-UHFFFAOYSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide
CID 4930344
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17112795
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (CID 4930158) is 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The InChIKey is RCRAMWJHXUJVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)14-27-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide has a molecular weight of 368.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).