4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid

C18H20N2O5 — CID 21108841

IUPAC4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid
SMILESO=C(COCCCOc1ccccc1)NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H20N2O5/c21-17(20-19-15-9-7-14(8-10-15)18(22)23)13-24-11-4-12-25-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-13H2,(H,20,21)(H,22,23)
InChIKeyACQJPGWFZKHNIH-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.31
Rot. Bonds10

About 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid

4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid (PubChem CID 21108841) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid
PubChem CID21108841
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid
SMILESO=C(COCCCOc1ccccc1)NNc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H20N2O5/c21-17(20-19-15-9-7-14(8-10-15)18(22)23)13-24-11-4-12-25-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-13H2,(H,20,21)(H,22,23)
InChIKeyACQJPGWFZKHNIH-UHFFFAOYSA-N
XLogP2.31
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-phenoxyethoxy)-N'-pyrimidin-2-ylacetohydrazide
CID 87015407
2-(4-phenoxyphenoxy)-N'-phenylacetohydrazide
CID 78835711
4-[4-[2-[2-(4-phenoxybutoxy)ethyldisulfanyl]ethoxy]butoxy]benzoic acid
CID 167351541
4-[10-[10-(10-bromodecoxy)decoxy]decoxy]benzoic acid
CID 86092221
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid
CID 66770573
2-(4-phenoxybutoxy)acetamide
CID 122703944
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
2-(7-phenoxyheptoxy)acetamide
CID 153330522
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid?
The IUPAC name of 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid (CID 21108841) is 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid is O=C(COCCCOc1ccccc1)NNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid?
The InChIKey is ACQJPGWFZKHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-17(20-19-15-9-7-14(8-10-15)18(22)23)13-24-11-4-12-25-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-13H2,(H,20,21)(H,22,23).
What are the key properties of 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid?
4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-phenoxypropoxy)acetyl]hydrazinyl]benzoic acid is sourced from PubChem (CID 21108841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).