N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide

C21H26N2O4 — CID 24980568

IUPACN'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-10-12-16(13-11-15)27-14-6-9-19(25)22-23-20(26)17-7-4-5-8-18(17)24/h4-5,7-8,10-13,24H,6,9,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyBDGRRBYMTSBWGT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.31
Rot. Bonds6

About N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide

N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide (PubChem CID 24980568) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide
PubChem CID24980568
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-10-12-16(13-11-15)27-14-6-9-19(25)22-23-20(26)17-7-4-5-8-18(17)24/h4-5,7-8,10-13,24H,6,9,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyBDGRRBYMTSBWGT-UHFFFAOYSA-N
XLogP3.31
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzyloxy)benzohydrazide
CID 935766
3-Methyl-benzoic acid N'-(2-methoxy-benzoyl)-hydrazide
CID 790050
2-[[3-(4-propan-2-yloxyphenyl)propanoylamino]carbamoyl]benzoic Acid
CID 1983514
N'-(3-phenoxypropanoyl)benzohydrazide
CID 2082175
2-fluoro-N'-[3-(2-methylphenoxy)propanoyl]benzohydrazide
CID 2086579
2-(2-Phenoxyethoxy)benzohydrazide
CID 2360856
N'-(2-hydroxybenzoyl)-2-oxo-chromene-3-carbohydrazide
CID 24285664
1-hydroxy-N'-(3-methoxybenzoyl)-2-naphthohydrazide
CID 774189
2-Phenoxybenzoic acid hydrazide
CID 142650
2-[N'-(4-Isopropoxy-benzoyl)-hydrazinocarbonyl]-benzoic acid
CID 929530
N'-(2-hydroxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 24285123
2-hydroxy-N''-(4-keto-4-p-phenetyl-butanoyl)benzohydrazide
CID 24979372

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide (CID 24980568) is N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide is CC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide?
The InChIKey is BDGRRBYMTSBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)15-10-12-16(13-11-15)27-14-6-9-19(25)22-23-20(26)17-7-4-5-8-18(17)24/h4-5,7-8,10-13,24H,6,9,14H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide?
N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide has a molecular weight of 370.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-tert-butylphenoxy)butanoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 24980568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).