methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate

C15H21NO4 — CID 82786633

IUPACmethyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C15H21NO4/c1-11-12(7-6-8-13(11)17)15(19)16-10-5-3-4-9-14(18)20-2/h6-8,17H,3-5,9-10H2,1-2H3,(H,16,19)
InChIKeyOAMALSGTQZRNPJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.16
Rot. Bonds7

About methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate

methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate (PubChem CID 82786633) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
PubChem CID82786633
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C15H21NO4/c1-11-12(7-6-8-13(11)17)15(19)16-10-5-3-4-9-14(18)20-2/h6-8,17H,3-5,9-10H2,1-2H3,(H,16,19)
InChIKeyOAMALSGTQZRNPJ-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.16
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

methyl 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoate
CID 31541051
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
methyl 6-[(3-methyl-2-nitrobenzoyl)amino]hexanoate
CID 31097835
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate?
The IUPAC name of methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate (CID 82786633) is methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cccc(O)c1C.
What is the InChIKey of methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate?
The InChIKey is OAMALSGTQZRNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-12(7-6-8-13(11)17)15(19)16-10-5-3-4-9-14(18)20-2/h6-8,17H,3-5,9-10H2,1-2H3,(H,16,19).
What are the key properties of methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate?
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate has a molecular weight of 279.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate is sourced from PubChem (CID 82786633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).