2-amino-2-(4-phenoxyphenyl)acetohydrazide

C14H15N3O2 — CID 116848438

IUPAC2-amino-2-(4-phenoxyphenyl)acetohydrazide
SMILESNNC(=O)C(N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H15N3O2/c15-13(14(18)17-16)10-6-8-12(9-7-10)19-11-4-2-1-3-5-11/h1-9,13H,15-16H2,(H,17,18)
InChIKeyJHVQATNCKQHUDL-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-2-(4-phenoxyphenyl)acetohydrazide

2-amino-2-(4-phenoxyphenyl)acetohydrazide (PubChem CID 116848438) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-2-(4-phenoxyphenyl)acetohydrazide.

Molecular Properties

Compound Name2-amino-2-(4-phenoxyphenyl)acetohydrazide
PubChem CID116848438
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-amino-2-(4-phenoxyphenyl)acetohydrazide
SMILESNNC(=O)C(N)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H15N3O2/c15-13(14(18)17-16)10-6-8-12(9-7-10)19-11-4-2-1-3-5-11/h1-9,13H,15-16H2,(H,17,18)
InChIKeyJHVQATNCKQHUDL-UHFFFAOYSA-N
XLogP1.47
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride
CID 67352020
2-(3-phenoxyphenoxy)propanehydrazide
CID 63576934
methyl (3S)-3-amino-3-(4-phenoxyphenyl)propanoate
CID 171242566
methyl (3R)-3-amino-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249296
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
2-(4-phenoxyphenyl)propanoic acid
CID 527817
methyl (3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249298
2-amino-2-pyridin-3-ylacetohydrazide
CID 116848522
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
methyl 2-(4-phenoxyphenyl)butanoate
CID 141066175
3-(4-phenoxyphenyl)pentanedioic acid
CID 170564926

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-phenoxyphenyl)acetohydrazide?
The IUPAC name of 2-amino-2-(4-phenoxyphenyl)acetohydrazide (CID 116848438) is 2-amino-2-(4-phenoxyphenyl)acetohydrazide.
What is the SMILES notation for 2-amino-2-(4-phenoxyphenyl)acetohydrazide?
The canonical SMILES for 2-amino-2-(4-phenoxyphenyl)acetohydrazide is NNC(=O)C(N)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-amino-2-(4-phenoxyphenyl)acetohydrazide?
The InChIKey is JHVQATNCKQHUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13(14(18)17-16)10-6-8-12(9-7-10)19-11-4-2-1-3-5-11/h1-9,13H,15-16H2,(H,17,18).
What are the key properties of 2-amino-2-(4-phenoxyphenyl)acetohydrazide?
2-amino-2-(4-phenoxyphenyl)acetohydrazide has a molecular weight of 257.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-phenoxyphenyl)acetohydrazide is sourced from PubChem (CID 116848438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).