octan-2-yl 2-(4-hydroxyanilino)acetate

C16H25NO3 — CID 61302691

IUPACoctan-2-yl 2-(4-hydroxyanilino)acetate
SMILESCCCCCCC(C)OC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C16H25NO3/c1-3-4-5-6-7-13(2)20-16(19)12-17-14-8-10-15(18)11-9-14/h8-11,13,17-18H,3-7,12H2,1-2H3
InChIKeyLUZBHDSCVCNQGX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.71
Rot. Bonds9

About octan-2-yl 2-(4-hydroxyanilino)acetate

octan-2-yl 2-(4-hydroxyanilino)acetate (PubChem CID 61302691) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is octan-2-yl 2-(4-hydroxyanilino)acetate.

Molecular Properties

Compound Nameoctan-2-yl 2-(4-hydroxyanilino)acetate
PubChem CID61302691
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameoctan-2-yl 2-(4-hydroxyanilino)acetate
SMILESCCCCCCC(C)OC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C16H25NO3/c1-3-4-5-6-7-13(2)20-16(19)12-17-14-8-10-15(18)11-9-14/h8-11,13,17-18H,3-7,12H2,1-2H3
InChIKeyLUZBHDSCVCNQGX-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
octan-2-yl 3-(4-methylanilino)propanoate
CID 63540921
tridecan-2-yl 2-formamidoacetate
CID 76594869
[(2S)-dodecan-2-yl] propanoate
CID 162853259
hexadecan-2-yl propanoate
CID 154494346
4-methylpentyl 2-(4-hydroxyanilino)acetate
CID 61303683
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
6-hexoxyhexan-2-yl 4-hydroxybenzoate
CID 160563411
octan-2-yl (2S)-3-(4-hydroxyphenyl)-2-(methylamino)propanoate
CID 70400209
octan-2-yl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107436983
2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
CID 23266850
nonan-2-yl butanoate
CID 551252

Frequently Asked Questions

What is the IUPAC name of octan-2-yl 2-(4-hydroxyanilino)acetate?
The IUPAC name of octan-2-yl 2-(4-hydroxyanilino)acetate (CID 61302691) is octan-2-yl 2-(4-hydroxyanilino)acetate.
What is the SMILES notation for octan-2-yl 2-(4-hydroxyanilino)acetate?
The canonical SMILES for octan-2-yl 2-(4-hydroxyanilino)acetate is CCCCCCC(C)OC(=O)CNc1ccc(O)cc1.
What is the InChIKey of octan-2-yl 2-(4-hydroxyanilino)acetate?
The InChIKey is LUZBHDSCVCNQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-4-5-6-7-13(2)20-16(19)12-17-14-8-10-15(18)11-9-14/h8-11,13,17-18H,3-7,12H2,1-2H3.
What are the key properties of octan-2-yl 2-(4-hydroxyanilino)acetate?
octan-2-yl 2-(4-hydroxyanilino)acetate has a molecular weight of 279.38 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yl 2-(4-hydroxyanilino)acetate is sourced from PubChem (CID 61302691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).