4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline

C14H16N2O4 — CID 171781096

IUPAC4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline
SMILESCCc1cc(N(O)O)ccc1-c1ccc(N(O)O)cc1
InChIInChI=1S/C14H16N2O4/c1-2-10-9-13(16(19)20)7-8-14(10)11-3-5-12(6-4-11)15(17)18/h3-9,17-20H,2H2,1H3
InChIKeySTAXODTVWAXFSI-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.09
Rot. Bonds4

About 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline

4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline (PubChem CID 171781096) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline.

Molecular Properties

Compound Name4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline
PubChem CID171781096
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline
SMILESCCc1cc(N(O)O)ccc1-c1ccc(N(O)O)cc1
InChIInChI=1S/C14H16N2O4/c1-2-10-9-13(16(19)20)7-8-14(10)11-3-5-12(6-4-11)15(17)18/h3-9,17-20H,2H2,1H3
InChIKeySTAXODTVWAXFSI-UHFFFAOYSA-N
XLogP3.09
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline?
The IUPAC name of 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline (CID 171781096) is 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline.
What is the SMILES notation for 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline?
The canonical SMILES for 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline is CCc1cc(N(O)O)ccc1-c1ccc(N(O)O)cc1.
What is the InChIKey of 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline?
The InChIKey is STAXODTVWAXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-10-9-13(16(19)20)7-8-14(10)11-3-5-12(6-4-11)15(17)18/h3-9,17-20H,2H2,1H3.
What are the key properties of 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline?
4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline has a molecular weight of 276.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline is sourced from PubChem (CID 171781096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).