N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide

C21H25IN2O4 — CID 17046488

IUPACN'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1I
InChIInChI=1S/C21H25IN2O4/c1-13(28-16-9-7-15(8-10-16)21(2,3)4)19(25)23-24-20(26)14-6-11-18(27-5)17(22)12-14/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyVGBLJLVSLRWYST-UHFFFAOYSA-N
MW496.35 g/mol
LogP3.83
Rot. Bonds5

About N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide

N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide (PubChem CID 17046488) has the molecular formula C21H25IN2O4 and a molecular weight of 496.35 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
PubChem CID17046488
Molecular FormulaC21H25IN2O4
Molecular Weight496.35 g/mol
Exact Mass496.09
IUPAC NameN'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1I
InChIInChI=1S/C21H25IN2O4/c1-13(28-16-9-7-15(8-10-16)21(2,3)4)19(25)23-24-20(26)14-6-11-18(27-5)17(22)12-14/h6-13H,1-5H3,(H,23,25)(H,24,26)
InChIKeyVGBLJLVSLRWYST-UHFFFAOYSA-N
XLogP3.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4944161
N'-[2-(4-ethylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4953445
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-iodo-4-methoxybenzamide
CID 3339263
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
N'-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 8573555
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-3-methoxy-4-methylbenzohydrazide
CID 9088677
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide (CID 17046488) is N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1I.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
The InChIKey is VGBLJLVSLRWYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25IN2O4/c1-13(28-16-9-7-15(8-10-16)21(2,3)4)19(25)23-24-20(26)14-6-11-18(27-5)17(22)12-14/h6-13H,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide?
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide has a molecular weight of 496.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide is sourced from PubChem (CID 17046488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).