2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid

C24H24N2O5 — CID 10502224

IUPAC2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid
SMILESCOc1ccc(CN(NCc2cccc(C(=O)O)c2O)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O5/c1-31-20-12-10-18(11-13-20)16-26(22(27)14-17-6-3-2-4-7-17)25-15-19-8-5-9-21(23(19)28)24(29)30/h2-13,25,28H,14-16H2,1H3,(H,29,30)
InChIKeyOYTASNFZJCACCZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.38
Rot. Bonds9

About 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid

2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid (PubChem CID 10502224) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid
PubChem CID10502224
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid
SMILESCOc1ccc(CN(NCc2cccc(C(=O)O)c2O)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O5/c1-31-20-12-10-18(11-13-20)16-26(22(27)14-17-6-3-2-4-7-17)25-15-19-8-5-9-21(23(19)28)24(29)30/h2-13,25,28H,14-16H2,1H3,(H,29,30)
InChIKeyOYTASNFZJCACCZ-UHFFFAOYSA-N
XLogP3.38
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
3-[(2-benzoyl-2-methylhydrazinyl)methyl]-2-hydroxybenzoic acid
CID 10780554
2-[4-[[[2-(4-methoxyphenyl)acetyl]-[3-(4-methoxyphenyl)propyl]amino]methyl]phenyl]benzoic acid
CID 66774846
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[5-[benzyl(methyl)amino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113026912
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
CID 43820821
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
(2R)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)butanamide
CID 100502820

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid (CID 10502224) is 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid is COc1ccc(CN(NCc2cccc(C(=O)O)c2O)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid?
The InChIKey is OYTASNFZJCACCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-31-20-12-10-18(11-13-20)16-26(22(27)14-17-6-3-2-4-7-17)25-15-19-8-5-9-21(23(19)28)24(29)30/h2-13,25,28H,14-16H2,1H3,(H,29,30).
What are the key properties of 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid?
2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid has a molecular weight of 420.47 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)hydrazinyl]methyl]benzoic acid is sourced from PubChem (CID 10502224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).