N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide

C21H26N2O3 — CID 17046473

IUPACN'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-14-8-6-7-9-18(14)20(25)23-22-19(24)15(2)26-17-12-10-16(11-13-17)21(3,4)5/h6-13,15H,1-5H3,(H,22,24)(H,23,25)
InChIKeyISBUYMQJXXRNGO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.52
Rot. Bonds4

About N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide

N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide (PubChem CID 17046473) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
PubChem CID17046473
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-14-8-6-7-9-18(14)20(25)23-22-19(24)15(2)26-17-12-10-16(11-13-17)21(3,4)5/h6-13,15H,1-5H3,(H,22,24)(H,23,25)
InChIKeyISBUYMQJXXRNGO-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.52
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

N'-[2-(3-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 55789103
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
CID 17046558
N'-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 9297840
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
1-[2-(4-tert-butylphenoxy)propanoylamino]-3-methylthiourea
CID 4502854
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 132661546
N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide (CID 17046473) is N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide?
The InChIKey is ISBUYMQJXXRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-8-6-7-9-18(14)20(25)23-22-19(24)15(2)26-17-12-10-16(11-13-17)21(3,4)5/h6-13,15H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide?
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide is sourced from PubChem (CID 17046473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).