4-methylpentyl 2-(4-hydroxyanilino)acetate

C14H21NO3 — CID 61303683

IUPAC4-methylpentyl 2-(4-hydroxyanilino)acetate
SMILESCC(C)CCCOC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-11(2)4-3-9-18-14(17)10-15-12-5-7-13(16)8-6-12/h5-8,11,15-16H,3-4,9-10H2,1-2H3
InChIKeyKXDWNXPPDJHMJH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.78
Rot. Bonds7

About 4-methylpentyl 2-(4-hydroxyanilino)acetate

4-methylpentyl 2-(4-hydroxyanilino)acetate (PubChem CID 61303683) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methylpentyl 2-(4-hydroxyanilino)acetate.

Molecular Properties

Compound Name4-methylpentyl 2-(4-hydroxyanilino)acetate
PubChem CID61303683
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-methylpentyl 2-(4-hydroxyanilino)acetate
SMILESCC(C)CCCOC(=O)CNc1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-11(2)4-3-9-18-14(17)10-15-12-5-7-13(16)8-6-12/h5-8,11,15-16H,3-4,9-10H2,1-2H3
InChIKeyKXDWNXPPDJHMJH-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.78
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

2-(2-methylpropoxy)ethyl 2-(4-hydroxyanilino)acetate
CID 106448108
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
4-methylpentyl 2-(3-chloroanilino)acetate
CID 61304082
propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
octan-2-yl 2-(4-hydroxyanilino)acetate
CID 61302691
pentyl 2-(4-methylanilino)acetate
CID 61303910
2-(2-methylpropoxy)ethyl 2-(4-methylanilino)acetate
CID 106448186
6-methylheptyl 3-tert-butyl-3-(4-hydroxyphenyl)-4,4-dimethylpentanoate
CID 175136112
4-methylpentyl 4-(methylamino)benzoate
CID 104698967
butyl 2-(4-methylsulfanylanilino)acetate
CID 54917733

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-(4-hydroxyanilino)acetate?
The IUPAC name of 4-methylpentyl 2-(4-hydroxyanilino)acetate (CID 61303683) is 4-methylpentyl 2-(4-hydroxyanilino)acetate.
What is the SMILES notation for 4-methylpentyl 2-(4-hydroxyanilino)acetate?
The canonical SMILES for 4-methylpentyl 2-(4-hydroxyanilino)acetate is CC(C)CCCOC(=O)CNc1ccc(O)cc1.
What is the InChIKey of 4-methylpentyl 2-(4-hydroxyanilino)acetate?
The InChIKey is KXDWNXPPDJHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)4-3-9-18-14(17)10-15-12-5-7-13(16)8-6-12/h5-8,11,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 4-methylpentyl 2-(4-hydroxyanilino)acetate?
4-methylpentyl 2-(4-hydroxyanilino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-(4-hydroxyanilino)acetate is sourced from PubChem (CID 61303683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).