ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate

C15H21NO4 — CID 23657410

IUPACethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-2-20-14(18)6-4-3-5-11-16-15(19)12-7-9-13(17)10-8-12/h7-10,17H,2-6,11H2,1H3,(H,16,19)
InChIKeyLQGXKVCSBNKMPI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.25
Rot. Bonds8

About ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate

ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate (PubChem CID 23657410) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
PubChem CID23657410
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-2-20-14(18)6-4-3-5-11-16-15(19)12-7-9-13(17)10-8-12/h7-10,17H,2-6,11H2,1H3,(H,16,19)
InChIKeyLQGXKVCSBNKMPI-UHFFFAOYSA-N
XLogP2.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
N-decyl-4-hydroxybenzamide
CID 15277871
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
2-[4-[(6-ethoxy-6-oxohexyl)carbamoyl]phenoxy]ethyl-triethylazanium bromide
CID 23657562
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
CID 60521776
ethyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]butanoate
CID 78785631
ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate
CID 175439207
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 4-[7-[(4-carbamoylbenzoyl)amino]heptylcarbamoyl]benzoate
CID 58936752

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate?
The IUPAC name of ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate (CID 23657410) is ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate.
What is the SMILES notation for ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate?
The canonical SMILES for ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate is CCOC(=O)CCCCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate?
The InChIKey is LQGXKVCSBNKMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-20-14(18)6-4-3-5-11-16-15(19)12-7-9-13(17)10-8-12/h7-10,17H,2-6,11H2,1H3,(H,16,19).
What are the key properties of ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate?
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate has a molecular weight of 279.34 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate is sourced from PubChem (CID 23657410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).