2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid

C19H24N2O4 — CID 12751722

IUPAC2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid
SMILESCOc1ccc(NNC(C)(C)C(C(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O4/c1-19(2,21-20-14-7-11-16(25-4)12-8-14)17(18(22)23)13-5-9-15(24-3)10-6-13/h5-12,17,20-21H,1-4H3,(H,22,23)
InChIKeyJGZLZNUVTBVVNQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.27
Rot. Bonds8

About 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid

2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid (PubChem CID 12751722) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid
PubChem CID12751722
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid
SMILESCOc1ccc(NNC(C)(C)C(C(=O)O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O4/c1-19(2,21-20-14-7-11-16(25-4)12-8-14)17(18(22)23)13-5-9-15(24-3)10-6-13/h5-12,17,20-21H,1-4H3,(H,22,23)
InChIKeyJGZLZNUVTBVVNQ-UHFFFAOYSA-N
XLogP3.27
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(2,2-dimethylpropyl)-3-(4-methoxyphenyl)butanedioic acid
CID 154270093
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
3-(4-methoxyphenyl)-2,2-bis(2-methylpropyl)butanedioic acid
CID 154389531
2-(4-methoxyanilino)-4,4-dimethylpentanoic acid
CID 62950052
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-[tert-butyl(hydroxy)amino]-2-(4-methoxyphenyl)acetic acid
CID 14359896
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950
2-(4-methoxycarbonylphenyl)-3,3-dimethylbutanoic acid
CID 67204122

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid (CID 12751722) is 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid is COc1ccc(NNC(C)(C)C(C(=O)O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid?
The InChIKey is JGZLZNUVTBVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2,21-20-14-7-11-16(25-4)12-8-14)17(18(22)23)13-5-9-15(24-3)10-6-13/h5-12,17,20-21H,1-4H3,(H,22,23).
What are the key properties of 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid?
2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid has a molecular weight of 344.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)hydrazinyl]-3-methylbutanoic acid is sourced from PubChem (CID 12751722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).